7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine

C48H32N2S — CID 90372077

IUPAC7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3cc(-n5c6ccccc6c6ccccc65)ccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-11-33(12-4-1)35-19-23-37(24-20-35)49(38-25-21-36(22-26-38)34-13-5-2-6-14-34)39-27-29-43-44-30-28-40(32-48(44)51-47(43)31-39)50-45-17-9-7-15-41(45)42-16-8-10-18-46(42)50/h1-32H
InChIKeyPXRYIFBRLDYGLC-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine

7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 90372077) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound Name7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID90372077
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3cc(-n5c6ccccc6c6ccccc65)ccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-11-33(12-4-1)35-19-23-37(24-20-35)49(38-25-21-36(22-26-38)34-13-5-2-6-14-34)39-27-29-43-44-30-28-40(32-48(44)51-47(43)31-39)50-45-17-9-7-15-41(45)42-16-8-10-18-46(42)50/h1-32H
InChIKeyPXRYIFBRLDYGLC-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118086514
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-[8-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole
CID 159552400
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 90372072
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-[4-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 118505674
9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 118333305
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine (CID 90372077) is 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3cc(-n5c6ccccc6c6ccccc65)ccc34)cc2)cc1.
What is the InChIKey of 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is PXRYIFBRLDYGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-3-11-33(12-4-1)35-19-23-37(24-20-35)49(38-25-21-36(22-26-38)34-13-5-2-6-14-34)39-27-29-43-44-30-28-40(32-48(44)51-47(43)31-39)50-45-17-9-7-15-41(45)42-16-8-10-18-46(42)50/h1-32H.
What are the key properties of 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine?
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 668.87 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 90372077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).