N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine

C60H40N2S — CID 168790820

IUPACN-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C60H40N2S/c1-4-20-41(21-5-1)45-26-10-11-30-51(45)59-46(42-22-6-2-7-23-42)31-19-36-56(59)62(44-38-39-49-47-27-12-15-34-54(47)61(57(49)40-44)43-24-8-3-9-25-43)55-35-16-13-28-48(55)52-32-18-33-53-50-29-14-17-37-58(50)63-60(52)53/h1-40H
InChIKeyZCNYJWWZWLKEHL-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.29
Rot. Bonds8

About N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine

N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 168790820) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
PubChem CID168790820
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C60H40N2S/c1-4-20-41(21-5-1)45-26-10-11-30-51(45)59-46(42-22-6-2-7-23-42)31-19-36-56(59)62(44-38-39-49-47-27-12-15-34-54(47)61(57(49)40-44)43-24-8-3-9-25-43)55-35-16-13-28-48(55)52-32-18-33-53-50-29-14-17-37-58(50)63-60(52)53/h1-40H
InChIKeyZCNYJWWZWLKEHL-UHFFFAOYSA-N
XLogP17.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.06
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
N-(4-dibenzothiophen-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788998
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172500763
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
N-dibenzofuran-4-yl-N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814483
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501679
3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 175298985
N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169010108
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
N-(5-dibenzofuran-1-ylnaphthalen-1-yl)-N-dibenzothiophen-4-yl-9-phenylcarbazol-2-amine
CID 168814345
3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790192

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine (CID 168790820) is N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is ZCNYJWWZWLKEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-4-20-41(21-5-1)45-26-10-11-30-51(45)59-46(42-22-6-2-7-23-42)31-19-36-56(59)62(44-38-39-49-47-27-12-15-34-54(47)61(57(49)40-44)43-24-8-3-9-25-43)55-35-16-13-28-48(55)52-32-18-33-53-50-29-14-17-37-58(50)63-60(52)53/h1-40H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine?
N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine has a molecular weight of 821.06 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 168790820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).