N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline

C58H38N2S — CID 126718544

IUPACN,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5ccc7cc8sc9ccccc9c8cc7c5n6-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H38N2S/c1-4-12-39(13-5-1)41-24-30-48(31-25-41)59(46-14-6-2-7-15-46)49-32-26-42(27-33-49)40-20-22-43(23-21-40)44-29-35-55-53(36-44)51-34-28-45-37-57-54(50-18-10-11-19-56(50)61-57)38-52(45)58(51)60(55)47-16-8-3-9-17-47/h1-38H
InChIKeyRRWGLZRYJKTVEI-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline

N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline (PubChem CID 126718544) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline
PubChem CID126718544
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5ccc7cc8sc9ccccc9c8cc7c5n6-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H38N2S/c1-4-12-39(13-5-1)41-24-30-48(31-25-41)59(46-14-6-2-7-15-46)49-32-26-42(27-33-49)40-20-22-43(23-21-40)44-29-35-55-53(36-44)51-34-28-45-37-57-54(50-18-10-11-19-56(50)61-57)38-52(45)58(51)60(55)47-16-8-3-9-17-47/h1-38H
InChIKeyRRWGLZRYJKTVEI-UHFFFAOYSA-N
XLogP16.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.02
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline
CID 126718198
N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine
CID 126718547
N-dibenzothiophen-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-3-amine
CID 166847791
N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781993
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
N-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzothiophen-3-amine
CID 126718270
4-dibenzothiophen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168781954
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
7-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 168781883

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline (CID 126718544) is N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5ccc7cc8sc9ccccc9c8cc7c5n6-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline?
The InChIKey is RRWGLZRYJKTVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-4-12-39(13-5-1)41-24-30-48(31-25-41)59(46-14-6-2-7-15-46)49-32-26-42(27-33-49)40-20-22-43(23-21-40)44-29-35-55-53(36-44)51-34-28-45-37-57-54(50-18-10-11-19-56(50)61-57)38-52(45)58(51)60(55)47-16-8-3-9-17-47/h1-38H.
What are the key properties of N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline has a molecular weight of 795.02 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 126718544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).