N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine

C54H34N2OS — CID 177286552

IUPACN-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2OS/c1-4-15-35(16-5-1)37-31-44(36-17-6-2-7-18-36)53-47(32-37)43-23-14-24-48(54(43)56(53)38-19-8-3-9-20-38)55(39-27-29-50-45(33-39)41-21-10-12-25-49(41)57-50)40-28-30-52-46(34-40)42-22-11-13-26-51(42)58-52/h1-34H
InChIKeyKBRIFLNQYXMIEY-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine

N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine (PubChem CID 177286552) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine
PubChem CID177286552
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2OS/c1-4-15-35(16-5-1)37-31-44(36-17-6-2-7-18-36)53-47(32-37)43-23-14-24-48(54(43)56(53)38-19-8-3-9-20-38)55(39-27-29-50-45(33-39)41-21-10-12-25-49(41)57-50)40-28-30-52-46(34-40)42-22-11-13-26-51(42)58-52/h1-34H
InChIKeyKBRIFLNQYXMIEY-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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Launch Full Analysis

Related Compounds

N-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-6,8,9-triphenylcarbazol-1-amine
CID 177286423
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
CID 177286582
N-dibenzothiophen-4-yl-N,6,8,9-tetraphenylcarbazol-1-amine
CID 177286407
N-[4-(3-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzofuran-2-amine;N-[4-(3-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzothiophen-2-amine
CID 158825064
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788545
N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 121383334
8-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;8-dibenzofuran-2-yl-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine;8-dibenzothiophen-2-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161143692
N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine
CID 177286581
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine
CID 146588852

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine (CID 177286552) is N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)c2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine?
The InChIKey is KBRIFLNQYXMIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-4-15-35(16-5-1)37-31-44(36-17-6-2-7-18-36)53-47(32-37)43-23-14-24-48(54(43)56(53)38-19-8-3-9-20-38)55(39-27-29-50-45(33-39)41-21-10-12-25-49(41)57-50)40-28-30-52-46(34-40)42-22-11-13-26-51(42)58-52/h1-34H.
What are the key properties of N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine?
N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-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 N-dibenzofuran-2-yl-N-dibenzothiophen-2-yl-6,8,9-triphenylcarbazol-1-amine is sourced from PubChem (CID 177286552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).