4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine

C58H38N2S — CID 167227669

IUPAC4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c4ccccc34)cc2)cc1
InChIInChI=1S/C58H38N2S/c1-2-14-39(15-3-1)40-26-31-43(32-27-40)59(44-33-28-41(29-34-44)42-30-37-58-52(38-42)51-21-9-13-25-57(51)61-58)56-36-35-46(45-16-4-5-17-47(45)56)48-18-6-10-22-53(48)60-54-23-11-7-19-49(54)50-20-8-12-24-55(50)60/h1-38H
InChIKeyMCHNMUYPBZAZSI-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 167227669) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID167227669
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c4ccccc34)cc2)cc1
InChIInChI=1S/C58H38N2S/c1-2-14-39(15-3-1)40-26-31-43(32-27-40)59(44-33-28-41(29-34-44)42-30-37-58-52(38-42)51-21-9-13-25-57(51)61-58)56-36-35-46(45-16-4-5-17-47(45)56)48-18-6-10-22-53(48)60-54-23-11-7-19-49(54)50-20-8-12-24-55(50)60/h1-38H
InChIKeyMCHNMUYPBZAZSI-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-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
CID 167227767
4-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167227694
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227684
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 165005699
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227701
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline
CID 147107274
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227719

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine (CID 167227669) is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is MCHNMUYPBZAZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-2-14-39(15-3-1)40-26-31-43(32-27-40)59(44-33-28-41(29-34-44)42-30-37-58-52(38-42)51-21-9-13-25-57(51)61-58)56-36-35-46(45-16-4-5-17-47(45)56)48-18-6-10-22-53(48)60-54-23-11-7-19-49(54)50-20-8-12-24-55(50)60/h1-38H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine?
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-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 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167227669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).