N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

C134H94N2O2 — CID 160669784

IUPACN,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
SMILESCc1cc(C)c(-c2cc(-c3c(C)cc(C)cc3C)c3ccc4c5oc6ccccc6c5cc5ccc2c3c54)c(C)c1.Cc1ccccc1N(c1ccccc1C)c1cc(-c2ccccc2)c2ccc3c4c(ccc1c24)cc1c2ccccc2n(-c2ccccc2)c13.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccc5c6oc7ccccc7c6cc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C48H34N2.C46H28O.C40H32O/c1-31-15-9-12-22-42(31)50(43-23-13-10-16-32(43)2)45-30-40(33-17-5-3-6-18-33)37-27-28-39-46-34(25-26-38(45)47(37)46)29-41-36-21-11-14-24-44(36)49(48(39)41)35-19-7-4-8-20-35;1-3-9-29(10-4-1)31-15-19-33(20-16-31)40-28-41(34-21-17-32(18-22-34)30-11-5-2-6-12-30)38-25-26-39-44-35(23-24-37(40)45(38)44)27-42-36-13-7-8-14-43(36)47-46(39)42;1-21-15-23(3)36(24(4)16-21)32-20-33(37-25(5)17-22(2)18-26(37)6)30-13-14-31-38-27(11-12-29(32)39(30)38)19-34-28-9-7-8-10-35(28)41-40(31)34/h3-30H,1-2H3;1-28H;7-20H,1-6H3
InChIKeyRMTVGCZACDVAQF-UHFFFAOYSA-N
MW1764.24 g/mol
LogP38.25
Rot. Bonds11

About N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene (PubChem CID 160669784) has the molecular formula C134H94N2O2 and a molecular weight of 1764.24 g/mol. Its IUPAC name is N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound NameN,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
PubChem CID160669784
Molecular FormulaC134H94N2O2
Molecular Weight1764.24 g/mol
Exact Mass1762.73
IUPAC NameN,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
SMILESCc1cc(C)c(-c2cc(-c3c(C)cc(C)cc3C)c3ccc4c5oc6ccccc6c5cc5ccc2c3c54)c(C)c1.Cc1ccccc1N(c1ccccc1C)c1cc(-c2ccccc2)c2ccc3c4c(ccc1c24)cc1c2ccccc2n(-c2ccccc2)c13.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccc5c6oc7ccccc7c6cc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C48H34N2.C46H28O.C40H32O/c1-31-15-9-12-22-42(31)50(43-23-13-10-16-32(43)2)45-30-40(33-17-5-3-6-18-33)37-27-28-39-46-34(25-26-38(45)47(37)46)29-41-36-21-11-14-24-44(36)49(48(39)41)35-19-7-4-8-20-35;1-3-9-29(10-4-1)31-15-19-33(20-16-31)40-28-41(34-21-17-32(18-22-34)30-11-5-2-6-12-30)38-25-26-39-44-35(23-24-37(40)45(38)44)27-42-36-13-7-8-14-43(36)47-46(39)42;1-21-15-23(3)36(24(4)16-21)32-20-33(37-25(5)17-22(2)18-26(37)6)30-13-14-31-38-27(11-12-29(32)39(30)38)19-34-28-9-7-8-10-35(28)41-40(31)34/h3-30H,1-2H3;1-28H;7-20H,1-6H3
InChIKeyRMTVGCZACDVAQF-UHFFFAOYSA-N
XLogP38.25
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001764.24
LogP ≤ 538.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-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

16,18-bis[4-(4-methylphenyl)phenyl]-3-(2,4,6-trimethylphenyl)-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 90381345
4-phenyl-N-[4-(3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 89341685
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-methylnaphthalen-1-yl)-3,8-diphenylpyrene-1,6-diamine
CID 159400062
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene
CID 134252619
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-dimethylphenyl)-7-methylpyrene-1,3-diamine
CID 122578846
4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176609442
4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608653
9,23-bis(3-methylphenyl)-9,23-diazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),17,19,21,25,27-tetradecaene;6-(4-tert-butylphenyl)-20,20-dimethyl-N-naphthalen-1-yl-N-phenylhexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;6-[4-(4-tert-butylphenyl)phenyl]-N,N-bis(3-methylphenyl)-20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-6-(4-methylphenyl)-N,N-diphenyl-20-silahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;20,20-dimethyl-N-(2-methylphenyl)-N-phenyl-6-(2,4,6-trimethylphenyl)hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine;N,N,20-triphenyl-6-(2,4,6-trimethylphenyl)-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,17,22-undecaen-17-amine
CID 161303032
19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene
CID 142289915
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?
The IUPAC name of N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene (CID 160669784) is N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene is Cc1cc(C)c(-c2cc(-c3c(C)cc(C)cc3C)c3ccc4c5oc6ccccc6c5cc5ccc2c3c54)c(C)c1.Cc1ccccc1N(c1ccccc1C)c1cc(-c2ccccc2)c2ccc3c4c(ccc1c24)cc1c2ccccc2n(-c2ccccc2)c13.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccc5c6oc7ccccc7c6cc6ccc3c4c65)cc2)cc1.
What is the InChIKey of N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?
The InChIKey is RMTVGCZACDVAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2.C46H28O.C40H32O/c1-31-15-9-12-22-42(31)50(43-23-13-10-16-32(43)2)45-30-40(33-17-5-3-6-18-33)37-27-28-39-46-34(25-26-38(45)47(37)46)29-41-36-21-11-14-24-44(36)49(48(39)41)35-19-7-4-8-20-35;1-3-9-29(10-4-1)31-15-19-33(20-16-31)40-28-41(34-21-17-32(18-22-34)30-11-5-2-6-12-30)38-25-26-39-44-35(23-24-37(40)45(38)44)27-42-36-13-7-8-14-43(36)47-46(39)42;1-21-15-23(3)36(24(4)16-21)32-20-33(37-25(5)17-22(2)18-26(37)6)30-13-14-31-38-27(11-12-29(32)39(30)38)19-34-28-9-7-8-10-35(28)41-40(31)34/h3-30H,1-2H3;1-28H;7-20H,1-6H3.
What are the key properties of N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?
N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene has a molecular weight of 1764.24 g/mol, XLogP of 38.25, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylphenyl)-3,18-diphenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaen-16-amine;16,18-bis(4-phenylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;16,18-bis(2,4,6-trimethylphenyl)-3-oxahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 160669784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).