4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine

C58H36N2OS — CID 176608218

IUPAC4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
SMILESc1cc(-c2c(N(c3ccc4ccccc4c3)c3ccccc3-c3cccc4c3oc3ccccc34)ccc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H36N2OS/c1-2-16-38-35-41(32-31-37(38)15-1)60(52-28-10-5-21-44(52)47-24-14-25-48-45-22-6-11-29-54(45)61-57(47)48)53-34-33-49-46-23-7-12-30-55(46)62-58(49)56(53)39-17-13-18-40(36-39)59-50-26-8-3-19-42(50)43-20-4-9-27-51(43)59/h1-36H
InChIKeyHBXAKLPPILHBLS-UHFFFAOYSA-N
MW809.01 g/mol
LogP17.01
Rot. Bonds6

About 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine

4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine (PubChem CID 176608218) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
PubChem CID176608218
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
SMILESc1cc(-c2c(N(c3ccc4ccccc4c3)c3ccccc3-c3cccc4c3oc3ccccc34)ccc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H36N2OS/c1-2-16-38-35-41(32-31-37(38)15-1)60(52-28-10-5-21-44(52)47-24-14-25-48-45-22-6-11-29-54(45)61-57(47)48)53-34-33-49-46-23-7-12-30-55(46)62-58(49)56(53)39-17-13-18-40(36-39)59-50-26-8-3-19-42(50)43-20-4-9-27-51(43)59/h1-36H
InChIKeyHBXAKLPPILHBLS-UHFFFAOYSA-N
XLogP17.01
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.01
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
CID 176609519
N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
CID 170665916
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609302
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 158765488
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176608956
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 176607918
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176607817
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 157147224
4-(3-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 176609319
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 156521401
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 176609501
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
CID 176608293

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine (CID 176608218) is 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine is c1cc(-c2c(N(c3ccc4ccccc4c3)c3ccccc3-c3cccc4c3oc3ccccc34)ccc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine?
The InChIKey is HBXAKLPPILHBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-2-16-38-35-41(32-31-37(38)15-1)60(52-28-10-5-21-44(52)47-24-14-25-48-45-22-6-11-29-54(45)61-57(47)48)53-34-33-49-46-23-7-12-30-55(46)62-58(49)56(53)39-17-13-18-40(36-39)59-50-26-8-3-19-42(50)43-20-4-9-27-51(43)59/h1-36H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine?
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine has a molecular weight of 809.01 g/mol, XLogP of 17.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine is sourced from PubChem (CID 176608218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).