N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine

C240H150N6 — CID 157370486

IUPACN-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C35c6ccccc6-c6cccc(c63)-c3cccc-4c35)cc2)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)C35c6ccccc6-c6cccc(c63)-c3cccc-4c35)c2)cc1
InChIInChI=1S/C56H35N.C49H30N2.C49H31N.2C43H27N/c1-4-17-36(18-5-1)55(37-19-6-2-7-20-37)48-30-12-10-23-40(48)42-34-33-39(35-50(42)55)57(38-21-8-3-9-22-38)51-32-16-29-47-46-28-15-27-45-44-26-14-25-43-41-24-11-13-31-49(41)56(52(43)44,53(45)46)54(47)51;1-3-14-31(15-4-1)50(33-28-29-36-35-19-8-10-26-43(35)51(45(36)30-33)32-16-5-2-6-17-32)44-27-13-24-41-40-23-12-22-39-38-21-11-20-37-34-18-7-9-25-42(34)49(46(37)38,47(39)40)48(41)44;1-3-12-32(13-4-1)33-24-27-37(28-25-33)50(36-15-5-2-6-16-36)38-17-9-14-34(30-38)35-26-29-40-42-20-11-22-44-43-21-10-19-41-39-18-7-8-23-45(39)49(47(41)43,48(42)44)46(40)31-35;1-3-13-30(14-4-1)44(31-15-5-2-6-16-31)32-17-9-12-28(26-32)29-24-25-34-36-20-11-22-38-37-21-10-19-35-33-18-7-8-23-39(33)43(41(35)37,42(36)38)40(34)27-29;1-3-12-28(13-4-1)29-24-26-31(27-25-29)44(30-14-5-2-6-15-30)39-23-11-21-37-36-20-10-19-35-34-18-9-17-33-32-16-7-8-22-38(32)43(40(33)34,41(35)36)42(37)39/h1-35H;1-30H;1-31H;2*1-27H
InChIKeyBJRXJOCBWKGHRR-UHFFFAOYSA-N
MW3117.88 g/mol
LogP61.53
Rot. Bonds22

About N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine (PubChem CID 157370486) has the molecular formula C240H150N6 and a molecular weight of 3117.88 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine
PubChem CID157370486
Molecular FormulaC240H150N6
Molecular Weight3117.88 g/mol
Exact Mass3115.19
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C35c6ccccc6-c6cccc(c63)-c3cccc-4c35)cc2)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)C35c6ccccc6-c6cccc(c63)-c3cccc-4c35)c2)cc1
InChIInChI=1S/C56H35N.C49H30N2.C49H31N.2C43H27N/c1-4-17-36(18-5-1)55(37-19-6-2-7-20-37)48-30-12-10-23-40(48)42-34-33-39(35-50(42)55)57(38-21-8-3-9-22-38)51-32-16-29-47-46-28-15-27-45-44-26-14-25-43-41-24-11-13-31-49(41)56(52(43)44,53(45)46)54(47)51;1-3-14-31(15-4-1)50(33-28-29-36-35-19-8-10-26-43(35)51(45(36)30-33)32-16-5-2-6-17-32)44-27-13-24-41-40-23-12-22-39-38-21-11-20-37-34-18-7-9-25-42(34)49(46(37)38,47(39)40)48(41)44;1-3-12-32(13-4-1)33-24-27-37(28-25-33)50(36-15-5-2-6-16-36)38-17-9-14-34(30-38)35-26-29-40-42-20-11-22-44-43-21-10-19-41-39-18-7-8-23-45(39)49(47(41)43,48(42)44)46(40)31-35;1-3-13-30(14-4-1)44(31-15-5-2-6-16-31)32-17-9-12-28(26-32)29-24-25-34-36-20-11-22-38-37-21-10-19-35-33-18-7-8-23-39(33)43(41(35)37,42(36)38)40(34)27-29;1-3-12-28(13-4-1)29-24-26-31(27-25-29)44(30-14-5-2-6-15-30)39-23-11-21-37-36-20-10-19-35-34-18-9-17-33-32-16-7-8-22-38(32)43(40(33)34,41(35)36)42(37)39/h1-35H;1-30H;1-31H;2*1-27H
InChIKeyBJRXJOCBWKGHRR-UHFFFAOYSA-N
XLogP61.53
TPSA21.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms246
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003117.88
LogP ≤ 561.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine with MolForge

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Related Compounds

9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 146576508
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]aniline;N-[2-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[2-[3-[6-phenyl-9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 157435887
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]naphthalen-1-amine;3-phenyl-N-(3-phenylphenyl)-N-[3-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 158858798

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine (CID 157370486) is N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C35c6ccccc6-c6cccc(c63)-c3cccc-4c35)cc2)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)C35c6ccccc6-c6cccc(c63)-c3cccc-4c35)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine?
The InChIKey is BJRXJOCBWKGHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N.C49H30N2.C49H31N.2C43H27N/c1-4-17-36(18-5-1)55(37-19-6-2-7-20-37)48-30-12-10-23-40(48)42-34-33-39(35-50(42)55)57(38-21-8-3-9-22-38)51-32-16-29-47-46-28-15-27-45-44-26-14-25-43-41-24-11-13-31-49(41)56(52(43)44,53(45)46)54(47)51;1-3-14-31(15-4-1)50(33-28-29-36-35-19-8-10-26-43(35)51(45(36)30-33)32-16-5-2-6-17-32)44-27-13-24-41-40-23-12-22-39-38-21-11-20-37-34-18-7-9-25-42(34)49(46(37)38,47(39)40)48(41)44;1-3-12-32(13-4-1)33-24-27-37(28-25-33)50(36-15-5-2-6-16-36)38-17-9-14-34(30-38)35-26-29-40-42-20-11-22-44-43-21-10-19-41-39-18-7-8-23-45(39)49(47(41)43,48(42)44)46(40)31-35;1-3-13-30(14-4-1)44(31-15-5-2-6-16-31)32-17-9-12-28(26-32)29-24-25-34-36-20-11-22-38-37-21-10-19-35-33-18-7-8-23-39(33)43(41(35)37,42(36)38)40(34)27-29;1-3-12-28(13-4-1)29-24-26-31(27-25-29)44(30-14-5-2-6-15-30)39-23-11-21-37-36-20-10-19-35-34-18-9-17-33-32-16-7-8-22-38(32)43(40(33)34,41(35)36)42(37)39/h1-35H;1-30H;1-31H;2*1-27H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine has a molecular weight of 3117.88 g/mol, XLogP of 61.53, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine is sourced from PubChem (CID 157370486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).