3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene

C258H164N8 — CID 167620901

IUPAC3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
SMILESc1ccc(-c2cc3c4c5c(cccc5n(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c4c2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2cc3c4c5c(cccc5n(-c5cccc(-c6ccccc6-c6ccccc6)c5)c4c2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2ccc(-n3c4cccc5c4c4c(cc(-c6ccccc6)cc43)-c3cccc4cccc-5c34)cc2)cc1.c1ccc(-c2ccc3c4c(cccc24)-c2cccc4c2c2c-3cccc2n4-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-n3c4cccc5c4c4c(cc(-c6ccccc6)cc43)-c3cccc4cccc-5c34)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3c4cccc5c4c4c(cccc43)-c3cccc4cccc-5c34)c2)cc1
InChIInChI=1S/C46H30N2.2C46H29N.C40H26N2.2C40H25N/c1-4-13-31(14-5-1)36-29-30-41-40-22-12-24-43-46(40)45-39(38-20-10-19-37(36)44(38)41)21-11-23-42(45)48(43)35-27-25-34(26-28-35)47(32-15-6-2-7-16-32)33-17-8-3-9-18-33;1-4-13-30(14-5-1)34-27-41-39-22-11-20-33-19-10-21-37(44(33)39)38-23-12-24-42-45(38)46(41)43(28-34)47(42)35-25-26-36(31-15-6-2-7-16-31)40(29-35)32-17-8-3-9-18-32;1-3-13-30(14-4-1)34-28-41-40-24-11-18-32-17-10-23-38(44(32)40)39-25-12-26-42-45(39)46(41)43(29-34)47(42)35-20-9-19-33(27-35)37-22-8-7-21-36(37)31-15-5-2-6-16-31;1-3-14-28(15-4-1)41(29-16-5-2-6-17-29)30-18-9-19-31(26-30)42-36-24-10-22-34-32-20-7-12-27-13-8-21-33(38(27)32)35-23-11-25-37(42)40(35)39(34)36;1-3-11-26(12-4-1)29-17-7-18-31(23-29)41-36-22-10-21-33-32-19-8-15-28-16-9-20-34(38(28)32)35-24-30(27-13-5-2-6-14-27)25-37(41)40(35)39(33)36;1-3-10-26(11-4-1)28-20-22-31(23-21-28)41-36-19-9-18-33-32-16-7-14-29-15-8-17-34(38(29)32)35-24-30(27-12-5-2-6-13-27)25-37(41)40(35)39(33)36/h1-30H;2*1-29H;1-26H;2*1-25H
InChIKeyMKPJQXBNUMGRFW-UHFFFAOYSA-N
MW3376.21 g/mol
LogP70.78
Rot. Bonds23

About 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene

3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene (PubChem CID 167620901) has the molecular formula C258H164N8 and a molecular weight of 3376.21 g/mol. Its IUPAC name is 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene.

Molecular Properties

Compound Name3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
PubChem CID167620901
Molecular FormulaC258H164N8
Molecular Weight3376.21 g/mol
Exact Mass3373.31
IUPAC Name3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
SMILESc1ccc(-c2cc3c4c5c(cccc5n(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c4c2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2cc3c4c5c(cccc5n(-c5cccc(-c6ccccc6-c6ccccc6)c5)c4c2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2ccc(-n3c4cccc5c4c4c(cc(-c6ccccc6)cc43)-c3cccc4cccc-5c34)cc2)cc1.c1ccc(-c2ccc3c4c(cccc24)-c2cccc4c2c2c-3cccc2n4-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-n3c4cccc5c4c4c(cc(-c6ccccc6)cc43)-c3cccc4cccc-5c34)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3c4cccc5c4c4c(cccc43)-c3cccc4cccc-5c34)c2)cc1
InChIInChI=1S/C46H30N2.2C46H29N.C40H26N2.2C40H25N/c1-4-13-31(14-5-1)36-29-30-41-40-22-12-24-43-46(40)45-39(38-20-10-19-37(36)44(38)41)21-11-23-42(45)48(43)35-27-25-34(26-28-35)47(32-15-6-2-7-16-32)33-17-8-3-9-18-33;1-4-13-30(14-5-1)34-27-41-39-22-11-20-33-19-10-21-37(44(33)39)38-23-12-24-42-45(38)46(41)43(28-34)47(42)35-25-26-36(31-15-6-2-7-16-31)40(29-35)32-17-8-3-9-18-32;1-3-13-30(14-4-1)34-28-41-40-24-11-18-32-17-10-23-38(44(32)40)39-25-12-26-42-45(39)46(41)43(29-34)47(42)35-20-9-19-33(27-35)37-22-8-7-21-36(37)31-15-5-2-6-16-31;1-3-14-28(15-4-1)41(29-16-5-2-6-17-29)30-18-9-19-31(26-30)42-36-24-10-22-34-32-20-7-12-27-13-8-21-33(38(27)32)35-23-11-25-37(42)40(35)39(34)36;1-3-11-26(12-4-1)29-17-7-18-31(23-29)41-36-22-10-21-33-32-19-8-15-28-16-9-20-34(38(28)32)35-24-30(27-13-5-2-6-14-27)25-37(41)40(35)39(33)36;1-3-10-26(11-4-1)28-20-22-31(23-21-28)41-36-19-9-18-33-32-16-7-14-29-15-8-17-34(38(29)32)35-24-30(27-12-5-2-6-13-27)25-37(41)40(35)39(33)36/h1-30H;2*1-29H;1-26H;2*1-25H
InChIKeyMKPJQXBNUMGRFW-UHFFFAOYSA-N
XLogP70.78
TPSA36.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms266
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003376.21
LogP ≤ 570.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 164840555
3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 166660501
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161173154
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-yl-3-phenylphenyl)-N-phenylaniline
CID 167003310
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 126628031
N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337481

Frequently Asked Questions

What is the IUPAC name of 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene?
The IUPAC name of 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene (CID 167620901) is 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene.
What is the SMILES notation for 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene?
The canonical SMILES for 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene is c1ccc(-c2cc3c4c5c(cccc5n(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)c4c2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2cc3c4c5c(cccc5n(-c5cccc(-c6ccccc6-c6ccccc6)c5)c4c2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2ccc(-n3c4cccc5c4c4c(cc(-c6ccccc6)cc43)-c3cccc4cccc-5c34)cc2)cc1.c1ccc(-c2ccc3c4c(cccc24)-c2cccc4c2c2c-3cccc2n4-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-n3c4cccc5c4c4c(cc(-c6ccccc6)cc43)-c3cccc4cccc-5c34)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3c4cccc5c4c4c(cccc43)-c3cccc4cccc-5c34)c2)cc1.
What is the InChIKey of 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene?
The InChIKey is MKPJQXBNUMGRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2.2C46H29N.C40H26N2.2C40H25N/c1-4-13-31(14-5-1)36-29-30-41-40-22-12-24-43-46(40)45-39(38-20-10-19-37(36)44(38)41)21-11-23-42(45)48(43)35-27-25-34(26-28-35)47(32-15-6-2-7-16-32)33-17-8-3-9-18-33;1-4-13-30(14-5-1)34-27-41-39-22-11-20-33-19-10-21-37(44(33)39)38-23-12-24-42-45(38)46(41)43(28-34)47(42)35-25-26-36(31-15-6-2-7-16-31)40(29-35)32-17-8-3-9-18-32;1-3-13-30(14-4-1)34-28-41-40-24-11-18-32-17-10-23-38(44(32)40)39-25-12-26-42-45(39)46(41)43(29-34)47(42)35-20-9-19-33(27-35)37-22-8-7-21-36(37)31-15-5-2-6-16-31;1-3-14-28(15-4-1)41(29-16-5-2-6-17-29)30-18-9-19-31(26-30)42-36-24-10-22-34-32-20-7-12-27-13-8-21-33(38(27)32)35-23-11-25-37(42)40(35)39(34)36;1-3-11-26(12-4-1)29-17-7-18-31(23-29)41-36-22-10-21-33-32-19-8-15-28-16-9-20-34(38(28)32)35-24-30(27-13-5-2-6-14-27)25-37(41)40(35)39(33)36;1-3-10-26(11-4-1)28-20-22-31(23-21-28)41-36-19-9-18-33-32-16-7-14-29-15-8-17-34(38(29)32)35-24-30(27-12-5-2-6-13-27)25-37(41)40(35)39(33)36/h1-30H;2*1-29H;1-26H;2*1-25H.
What are the key properties of 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene?
3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene has a molecular weight of 3376.21 g/mol, XLogP of 70.78, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-23-yl)aniline;23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-(4-phenylphenyl)-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene;4-phenyl-23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene is sourced from PubChem (CID 167620901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).