8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C54H34N2OS — CID 165374694

IUPAC8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc34)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-13-35(14-4-1)36-25-27-38(28-26-36)55(50-24-12-21-46-45-20-11-19-41(53(45)58-54(46)50)37-15-5-2-6-16-37)40-29-31-44-47-33-39(30-32-51(47)57-52(44)34-40)56-48-22-9-7-17-42(48)43-18-8-10-23-49(43)56/h1-34H
InChIKeyZUBTUCRPAXVOMD-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 165374694) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID165374694
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC Name8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc34)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-13-35(14-4-1)36-25-27-38(28-26-36)55(50-24-12-21-46-45-20-11-19-41(53(45)58-54(46)50)37-15-5-2-6-16-37)40-29-31-44-47-33-39(30-32-51(47)57-52(44)34-40)56-48-22-9-7-17-42(48)43-18-8-10-23-49(43)56/h1-34H
InChIKeyZUBTUCRPAXVOMD-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-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814275
N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494387
N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167396586
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 168814614
N-dibenzothiophen-3-yl-6-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 168814330
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315203
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-(3-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 153315196
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397717
bis(N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine);N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 158442979

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 165374694) is 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6ccccc65)cc34)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is ZUBTUCRPAXVOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-3-13-35(14-4-1)36-25-27-38(28-26-36)55(50-24-12-21-46-45-20-11-19-41(53(45)58-54(46)50)37-15-5-2-6-16-37)40-29-31-44-47-33-39(30-32-51(47)57-52(44)34-40)56-48-22-9-7-17-42(48)43-18-8-10-23-49(43)56/h1-34H.
What are the key properties of 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
8-carbazol-9-yl-N-(6-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 8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 165374694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).