6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine

C52H34N2S — CID 90372111

IUPAC6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)cc2)cc1
InChIInChI=1S/C52H34N2S/c1-3-12-35(13-4-1)37-22-26-41(27-23-37)53(42-28-24-38(25-29-42)36-14-5-2-6-15-36)43-30-31-45-46-19-11-21-49(52(46)55-51(45)34-43)54-48-20-10-9-18-44(48)47-32-39-16-7-8-17-40(39)33-50(47)54/h1-34H
InChIKeyQOMMBOMEDKFHTC-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine

6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 90372111) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound Name6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID90372111
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC Name6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)cc2)cc1
InChIInChI=1S/C52H34N2S/c1-3-12-35(13-4-1)37-22-26-41(27-23-37)53(42-28-24-38(25-29-42)36-14-5-2-6-15-36)43-30-31-45-46-19-11-21-49(52(46)55-51(45)34-43)54-48-20-10-9-18-44(48)47-32-39-16-7-8-17-40(39)33-50(47)54/h1-34H
InChIKeyQOMMBOMEDKFHTC-UHFFFAOYSA-N
XLogP15.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine
CID 166997394
9-dibenzothiophen-4-yl-2-N-[7-(N-(3-methylphenyl)anilino)dibenzothiophen-2-yl]-2-N,6-N,6-N-triphenylcarbazole-2,6-diamine
CID 129194378
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380597
4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086505
6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine
CID 90372269
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine
CID 167322826
11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine
CID 174306247
N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 166565844

Frequently Asked Questions

What is the IUPAC name of 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine (CID 90372111) is 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)cc2)cc1.
What is the InChIKey of 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is QOMMBOMEDKFHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-12-35(13-4-1)37-22-26-41(27-23-37)53(42-28-24-38(25-29-42)36-14-5-2-6-15-36)43-30-31-45-46-19-11-21-49(52(46)55-51(45)34-43)54-48-20-10-9-18-44(48)47-32-39-16-7-8-17-40(39)33-50(47)54/h1-34H.
What are the key properties of 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine?
6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 718.93 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 90372111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).