9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C54H34N2OS — CID 165374632

IUPAC9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6ccccc65)c34)c3cc(-c4ccccc4)cc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-14-35(15-4-1)37-26-28-39(29-27-37)55(49-33-38(36-16-5-2-6-17-36)32-45-43-20-9-12-25-52(43)58-54(45)49)40-30-31-44-51(34-40)57-50-24-13-23-48(53(44)50)56-46-21-10-7-18-41(46)42-19-8-11-22-47(42)56/h1-34H
InChIKeyKLGOBMBMKDQLGN-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 165374632) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID165374632
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC Name9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6ccccc65)c34)c3cc(-c4ccccc4)cc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-14-35(15-4-1)37-26-28-39(29-27-37)55(49-33-38(36-16-5-2-6-17-36)32-45-43-20-9-12-25-52(43)58-54(45)49)40-30-31-44-51(34-40)57-50-24-13-23-48(53(44)50)56-46-21-10-7-18-41(46)42-19-8-11-22-47(42)56/h1-34H
InChIKeyKLGOBMBMKDQLGN-UHFFFAOYSA-N
XLogP15.85
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine
CID 122462802
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167322717
9-[7-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]carbazole
CID 170370315
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 159898925
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline
CID 118505905
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 90371880
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 164969143

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 165374632) is 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6ccccc65)c34)c3cc(-c4ccccc4)cc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is KLGOBMBMKDQLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-3-14-35(15-4-1)37-26-28-39(29-27-37)55(49-33-38(36-16-5-2-6-17-36)32-45-43-20-9-12-25-52(43)58-54(45)49)40-30-31-44-51(34-40)57-50-24-13-23-48(53(44)50)56-46-21-10-7-18-41(46)42-19-8-11-22-47(42)56/h1-34H.
What are the key properties of 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 758.95 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 165374632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).