N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine

C58H36N2OS — CID 168781786

IUPACN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3ccc4oc5ccccc5c4c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C58H36N2OS/c1-3-13-38(14-4-1)45-32-33-51(56-49-20-10-12-22-55(49)62-58(45)56)59(43-29-34-54-50(36-43)47-19-9-11-21-53(47)61-54)42-27-23-37(24-28-42)40-26-30-46-48-31-25-39-15-7-8-18-44(39)57(48)60(52(46)35-40)41-16-5-2-6-17-41/h1-36H
InChIKeySCHFCLGGTXWKMD-UHFFFAOYSA-N
MW809.01 g/mol
LogP17.01
Rot. Bonds6

About N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine (PubChem CID 168781786) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine
PubChem CID168781786
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3ccc4oc5ccccc5c4c3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C58H36N2OS/c1-3-13-38(14-4-1)45-32-33-51(56-49-20-10-12-22-55(49)62-58(45)56)59(43-29-34-54-50(36-43)47-19-9-11-21-53(47)61-54)42-27-23-37(24-28-42)40-26-30-46-48-31-25-39-15-7-8-18-44(39)57(48)60(52(46)35-40)41-16-5-2-6-17-41/h1-36H
InChIKeySCHFCLGGTXWKMD-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

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168781835
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 168781429
N-dibenzofuran-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-2-amine
CID 168781491
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine
CID 165093056
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847905
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781344
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 168781643
4-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781618
4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 168781565
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine?
The IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine (CID 168781786) is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3ccc4oc5ccccc5c4c3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine?
The InChIKey is SCHFCLGGTXWKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-3-13-38(14-4-1)45-32-33-51(56-49-20-10-12-22-55(49)62-58(45)56)59(43-29-34-54-50(36-43)47-19-9-11-21-53(47)61-54)42-27-23-37(24-28-42)40-26-30-46-48-31-25-39-15-7-8-18-44(39)57(48)60(52(46)35-40)41-16-5-2-6-17-41/h1-36H.
What are the key properties of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine?
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-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 N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenyldibenzothiophen-1-yl)dibenzofuran-2-amine is sourced from PubChem (CID 168781786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).