N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine

C64H42N2S — CID 168781903

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)c4ccc5sc6ccccc6c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H42N2S/c1-4-14-45(15-5-1)54-36-29-48(40-59(54)46-16-6-2-7-17-46)43-24-31-51(32-25-43)65(53-35-39-63-60(42-53)57-22-12-13-23-62(57)67-63)52-33-26-44(27-34-52)49-30-37-56-58-38-28-47-18-10-11-21-55(47)64(58)66(61(56)41-49)50-19-8-3-9-20-50/h1-42H
InChIKeyPYIIVSAUZWXVQQ-UHFFFAOYSA-N
MW871.12 g/mol
LogP18.44
Rot. Bonds8

About N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine

N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 168781903) has the molecular formula C64H42N2S and a molecular weight of 871.12 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
PubChem CID168781903
Molecular FormulaC64H42N2S
Molecular Weight871.12 g/mol
Exact Mass870.31
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)c4ccc5sc6ccccc6c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H42N2S/c1-4-14-45(15-5-1)54-36-29-48(40-59(54)46-16-6-2-7-17-46)43-24-31-51(32-25-43)65(53-35-39-63-60(42-53)57-22-12-13-23-62(57)67-63)52-33-26-44(27-34-52)49-30-37-56-58-38-28-47-18-10-11-21-55(47)64(58)66(61(56)41-49)50-19-8-3-9-20-50/h1-42H
InChIKeyPYIIVSAUZWXVQQ-UHFFFAOYSA-N
XLogP18.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.12
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781468
N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781993
N-(4-dibenzothiophen-1-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168781750
N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847901
7-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 168781883
4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 168781565
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 168781643
4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781351
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine (CID 168781903) is N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)c4ccc5sc6ccccc6c5c4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is PYIIVSAUZWXVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2S/c1-4-14-45(15-5-1)54-36-29-48(40-59(54)46-16-6-2-7-17-46)43-24-31-51(32-25-43)65(53-35-39-63-60(42-53)57-22-12-13-23-62(57)67-63)52-33-26-44(27-34-52)49-30-37-56-58-38-28-47-18-10-11-21-55(47)64(58)66(61(56)41-49)50-19-8-3-9-20-50/h1-42H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine?
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 871.12 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 168781903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).