9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene

C45H34N2S — CID 144687649

IUPAC9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene
SMILESC=CC.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)cc2)cc1
InChIInChI=1S/C42H28N2S.C3H6/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-11-19-35-41-38(22-12-24-40(41)45-42(35)39)44-36-20-9-7-17-33(36)34-18-8-10-21-37(34)44;1-3-2/h1-28H;3H,1H2,2H3
InChIKeyIBIAATSJEYJBQB-UHFFFAOYSA-N
MW634.85 g/mol
LogP13.48
Rot. Bonds5

About 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene

9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene (PubChem CID 144687649) has the molecular formula C45H34N2S and a molecular weight of 634.85 g/mol. Its IUPAC name is 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene.

Molecular Properties

Compound Name9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene
PubChem CID144687649
Molecular FormulaC45H34N2S
Molecular Weight634.85 g/mol
Exact Mass634.24
IUPAC Name9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene
SMILESC=CC.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)cc2)cc1
InChIInChI=1S/C42H28N2S.C3H6/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-11-19-35-41-38(22-12-24-40(41)45-42(35)39)44-36-20-9-7-17-33(36)34-18-8-10-21-37(34)44;1-3-2/h1-28H;3H,1H2,2H3
InChIKeyIBIAATSJEYJBQB-UHFFFAOYSA-N
XLogP13.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.85
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 90371880
9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 90371969
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 167110194
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227684
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 165374632

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene?
The IUPAC name of 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene (CID 144687649) is 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene.
What is the SMILES notation for 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene?
The canonical SMILES for 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene is C=CC.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)cc2)cc1.
What is the InChIKey of 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene?
The InChIKey is IBIAATSJEYJBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S.C3H6/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-11-19-35-41-38(22-12-24-40(41)45-42(35)39)44-36-20-9-7-17-33(36)34-18-8-10-21-37(34)44;1-3-2/h1-28H;3H,1H2,2H3.
What are the key properties of 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene?
9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene has a molecular weight of 634.85 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene is sourced from PubChem (CID 144687649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).