N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine

C58H38N2S — CID 177286550

IUPACN-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4sc4ccccc45)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H38N2S/c1-4-16-39(17-5-1)45-37-50(42-19-6-2-7-20-42)57-51(38-45)56-52(26-15-27-53(56)60(57)46-22-8-3-9-23-46)59(54-28-14-25-49-48-24-12-13-29-55(48)61-58(49)54)47-34-32-41(33-35-47)44-31-30-40-18-10-11-21-43(40)36-44/h1-38H
InChIKeyILJKUHGXZJFVQN-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine

N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine (PubChem CID 177286550) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine
PubChem CID177286550
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4sc4ccccc45)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H38N2S/c1-4-16-39(17-5-1)45-37-50(42-19-6-2-7-20-42)57-51(38-45)56-52(26-15-27-53(56)60(57)46-22-8-3-9-23-46)59(54-28-14-25-49-48-24-12-13-29-55(48)61-58(49)54)47-34-32-41(33-35-47)44-31-30-40-18-10-11-21-43(40)36-44/h1-38H
InChIKeyILJKUHGXZJFVQN-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

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Related Compounds

N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine
CID 177286581
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847825
N-dibenzothiophen-4-yl-N,6,8,9-tetraphenylcarbazol-1-amine
CID 177286407
N-dibenzothiophen-4-yl-N,6,8-triphenyl-9-[4-(3-phenylphenyl)phenyl]carbazol-1-amine
CID 177286397
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168782146
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 122666236
N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781972
N,4-diphenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-2-amine
CID 162150455

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine (CID 177286550) is N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4sc4ccccc45)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine?
The InChIKey is ILJKUHGXZJFVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-4-16-39(17-5-1)45-37-50(42-19-6-2-7-20-42)57-51(38-45)56-52(26-15-27-53(56)60(57)46-22-8-3-9-23-46)59(54-28-14-25-49-48-24-12-13-29-55(48)61-58(49)54)47-34-32-41(33-35-47)44-31-30-40-18-10-11-21-43(40)36-44/h1-38H.
What are the key properties of N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine?
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine 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-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine is sourced from PubChem (CID 177286550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).