11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine

C46H30N2S — CID 174306247

IUPAC11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine
SMILESc1ccc(-c2cc3ccccc3c3c2c2ccc(N(c4ccccc4)c4ccccc4)cc2n3-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C46H30N2S/c1-4-15-31(16-5-1)40-29-32-17-10-11-22-36(32)45-44(40)39-28-27-35(47(33-18-6-2-7-19-33)34-20-8-3-9-21-34)30-42(39)48(45)41-25-14-24-38-37-23-12-13-26-43(37)49-46(38)41/h1-30H
InChIKeyIKFYPZQZRVDXQF-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

About 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine

11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine (PubChem CID 174306247) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine.

Molecular Properties

Compound Name11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine
PubChem CID174306247
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC Name11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine
SMILESc1ccc(-c2cc3ccccc3c3c2c2ccc(N(c4ccccc4)c4ccccc4)cc2n3-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C46H30N2S/c1-4-15-31(16-5-1)40-29-32-17-10-11-22-36(32)45-44(40)39-28-27-35(47(33-18-6-2-7-19-33)34-20-8-3-9-21-34)30-42(39)48(45)41-25-14-24-38-37-23-12-13-26-43(37)49-46(38)41/h1-30H
InChIKeyIKFYPZQZRVDXQF-UHFFFAOYSA-N
XLogP13.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine
CID 174306195
6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372111
4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086505
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
1-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 162770456
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
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
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554

Frequently Asked Questions

What is the IUPAC name of 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine?
The IUPAC name of 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine (CID 174306247) is 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine.
What is the SMILES notation for 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine?
The canonical SMILES for 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine is c1ccc(-c2cc3ccccc3c3c2c2ccc(N(c4ccccc4)c4ccccc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine?
The InChIKey is IKFYPZQZRVDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-4-15-31(16-5-1)40-29-32-17-10-11-22-36(32)45-44(40)39-28-27-35(47(33-18-6-2-7-19-33)34-20-8-3-9-21-34)30-42(39)48(45)41-25-14-24-38-37-23-12-13-26-43(37)49-46(38)41/h1-30H.
What are the key properties of 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine?
11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine has a molecular weight of 642.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibenzothiophen-4-yl-N,N,6-triphenylbenzo[a]carbazol-9-amine is sourced from PubChem (CID 174306247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).