N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine

C46H30N2S — CID 163581433

IUPACN-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccccc3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H30N2S/c1-3-12-31(13-4-1)32-22-24-36(25-23-32)47(42-19-11-21-45-46(42)38-18-9-10-20-44(38)49-45)37-26-27-41-40(30-37)39-28-33-14-7-8-15-34(33)29-43(39)48(41)35-16-5-2-6-17-35/h1-30H
InChIKeyGHVWBXMLKVEUSP-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

About N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine

N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine (PubChem CID 163581433) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
PubChem CID163581433
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccccc3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H30N2S/c1-3-12-31(13-4-1)32-22-24-36(25-23-32)47(42-19-11-21-45-46(42)38-18-9-10-20-44(38)49-45)37-26-27-41-40(30-37)39-28-33-14-7-8-15-34(33)29-43(39)48(41)35-16-5-2-6-17-35/h1-30H
InChIKeyGHVWBXMLKVEUSP-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

N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 166847774
N-(4-naphthalen-2-ylphenyl)-N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenylcarbazol-3-amine
CID 163883658
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997472
N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214656
6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
CID 137493834
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 89491964
N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163536806

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine (CID 163581433) is N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccccc3)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine?
The InChIKey is GHVWBXMLKVEUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-3-12-31(13-4-1)32-22-24-36(25-23-32)47(42-19-11-21-45-46(42)38-18-9-10-20-44(38)49-45)37-26-27-41-40(30-37)39-28-33-14-7-8-15-34(33)29-43(39)48(41)35-16-5-2-6-17-35/h1-30H.
What are the key properties of N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine?
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-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 N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine is sourced from PubChem (CID 163581433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).