4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine

C56H40N2S — CID 176609226

IUPAC4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
SMILESCc1cccc(N(c2cc(C)c(-c3ccccc3)c(-c3ccccc3)c2)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c3c2)c1
InChIInChI=1S/C56H40N2S/c1-37-16-15-21-43(32-37)57(44-33-38(2)55(41-19-7-4-8-20-41)49(34-44)39-17-5-3-6-18-39)45-35-50(56-51(36-45)48-24-11-14-27-54(48)59-56)40-28-30-42(31-29-40)58-52-25-12-9-22-46(52)47-23-10-13-26-53(47)58/h3-36H,1-2H3
InChIKeyOITWRDSPEIILSZ-UHFFFAOYSA-N
MW773.02 g/mol
LogP16.24
Rot. Bonds7

About 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine

4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine (PubChem CID 176609226) has the molecular formula C56H40N2S and a molecular weight of 773.02 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
PubChem CID176609226
Molecular FormulaC56H40N2S
Molecular Weight773.02 g/mol
Exact Mass772.29
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
SMILESCc1cccc(N(c2cc(C)c(-c3ccccc3)c(-c3ccccc3)c2)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c3c2)c1
InChIInChI=1S/C56H40N2S/c1-37-16-15-21-43(32-37)57(44-33-38(2)55(41-19-7-4-8-20-41)49(34-44)39-17-5-3-6-18-39)45-35-50(56-51(36-45)48-24-11-14-27-54(48)59-56)40-28-30-42(31-29-40)58-52-25-12-9-22-46(52)47-23-10-13-26-53(47)58/h3-36H,1-2H3
InChIKeyOITWRDSPEIILSZ-UHFFFAOYSA-N
XLogP16.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.02
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 176609654
4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
CID 176608635
4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176607775
4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176608704
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159948060
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604840
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine (CID 176609226) is 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine is Cc1cccc(N(c2cc(C)c(-c3ccccc3)c(-c3ccccc3)c2)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c3c2)c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine?
The InChIKey is OITWRDSPEIILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2S/c1-37-16-15-21-43(32-37)57(44-33-38(2)55(41-19-7-4-8-20-41)49(34-44)39-17-5-3-6-18-39)45-35-50(56-51(36-45)48-24-11-14-27-54(48)59-56)40-28-30-42(31-29-40)58-52-25-12-9-22-46(52)47-23-10-13-26-53(47)58/h3-36H,1-2H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine?
4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine has a molecular weight of 773.02 g/mol, XLogP of 16.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 176609226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).