9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine

C60H39N3S — CID 164790635

IUPAC9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cccc23)cc1
InChIInChI=1S/C60H39N3S/c1-4-19-40(20-5-1)46-30-16-33-51-52-34-18-38-56(60(52)64-59(46)51)61(55-37-17-32-50-48-28-11-13-36-54(48)63(58(50)55)43-24-8-3-9-25-43)44-26-14-21-41(39-44)45-29-15-31-49-47-27-10-12-35-53(47)62(57(45)49)42-22-6-2-7-23-42/h1-39H
InChIKeyKKPGSAYUUXOWSH-UHFFFAOYSA-N
MW834.06 g/mol
LogP17.05
Rot. Bonds7

About 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine

9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine (PubChem CID 164790635) has the molecular formula C60H39N3S and a molecular weight of 834.06 g/mol. Its IUPAC name is 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine.

Molecular Properties

Compound Name9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine
PubChem CID164790635
Molecular FormulaC60H39N3S
Molecular Weight834.06 g/mol
Exact Mass833.29
IUPAC Name9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cccc23)cc1
InChIInChI=1S/C60H39N3S/c1-4-19-40(20-5-1)46-30-16-33-51-52-34-18-38-56(60(52)64-59(46)51)61(55-37-17-32-50-48-28-11-13-36-54(48)63(58(50)55)43-24-8-3-9-25-43)44-26-14-21-41(39-44)45-29-15-31-49-47-27-10-12-35-53(47)62(57(45)49)42-22-6-2-7-23-42/h1-39H
InChIKeyKKPGSAYUUXOWSH-UHFFFAOYSA-N
XLogP17.05
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.06
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-1-amine;N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine;9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine
CID 164984088
N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
CID 164790605
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298566
N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502247
N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 164991231
N-(4-carbazol-9-ylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790763
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 164957060
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 164967168
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 164790749
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine?
The IUPAC name of 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine (CID 164790635) is 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine.
What is the SMILES notation for 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine?
The canonical SMILES for 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine is c1ccc(-c2cccc3c2sc2c(N(c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cccc23)cc1.
What is the InChIKey of 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine?
The InChIKey is KKPGSAYUUXOWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3S/c1-4-19-40(20-5-1)46-30-16-33-51-52-34-18-38-56(60(52)64-59(46)51)61(55-37-17-32-50-48-28-11-13-36-54(48)63(58(50)55)43-24-8-3-9-25-43)44-26-14-21-41(39-44)45-29-15-31-49-47-27-10-12-35-53(47)62(57(45)49)42-22-6-2-7-23-42/h1-39H.
What are the key properties of 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine?
9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine has a molecular weight of 834.06 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine is sourced from PubChem (CID 164790635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).