N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine

C54H34N2OS — CID 156521073

IUPACN-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-14-35(15-4-1)37-28-31-48-45(32-37)41-18-7-10-21-47(41)56(48)40-33-44(54-46(34-40)42-19-8-11-23-50(42)57-54)36-26-29-39(30-27-36)55(38-16-5-2-6-17-38)49-22-13-25-52-53(49)43-20-9-12-24-51(43)58-52/h1-34H
InChIKeyYVASDJVSEUEXGG-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine

N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine (PubChem CID 156521073) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
PubChem CID156521073
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-14-35(15-4-1)37-28-31-48-45(32-37)41-18-7-10-21-47(41)56(48)40-33-44(54-46(34-40)42-19-8-11-23-50(42)57-54)36-26-29-39(30-27-36)55(38-16-5-2-6-17-38)49-22-13-25-52-53(49)43-20-9-12-24-51(43)58-52/h1-34H
InChIKeyYVASDJVSEUEXGG-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-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 156521438
N-(4-dibenzothiophen-1-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805112
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline
CID 156521426
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 89491964
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
CID 176608293
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine
CID 126702856
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 166003188
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-1-yldibenzofuran-4-amine
CID 167322750

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine (CID 156521073) is N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc3)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine?
The InChIKey is YVASDJVSEUEXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-3-14-35(15-4-1)37-28-31-48-45(32-37)41-18-7-10-21-47(41)56(48)40-33-44(54-46(34-40)42-19-8-11-23-50(42)57-54)36-26-29-39(30-27-36)55(38-16-5-2-6-17-38)49-22-13-25-52-53(49)43-20-9-12-24-51(43)58-52/h1-34H.
What are the key properties of N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine?
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-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-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 156521073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).