N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine

C52H34N2O — CID 167402090

IUPACN,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)oc2c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc32)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)37-26-30-45-48-34-47(42-20-10-11-22-46(42)52(48)55-51(45)32-37)36-24-27-40(28-25-36)53(38-16-6-2-7-17-38)41-29-31-44-43-21-12-13-23-49(43)54(50(44)33-41)39-18-8-3-9-19-39/h1-34H
InChIKeyORMHKZBBLOYEFJ-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine

N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine (PubChem CID 167402090) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine
PubChem CID167402090
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)oc2c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc32)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)37-26-30-45-48-34-47(42-20-10-11-22-46(42)52(48)55-51(45)32-37)36-24-27-40(28-25-36)53(38-16-6-2-7-17-38)41-29-31-44-43-21-12-13-23-49(43)54(50(44)33-41)39-18-8-3-9-19-39/h1-34H
InChIKeyORMHKZBBLOYEFJ-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814481
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315205
N-dibenzofuran-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814779
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
9-phenyl-N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]carbazol-2-amine
CID 167143325
N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167143213
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline
CID 156521426
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 167277636
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine?
The IUPAC name of N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine (CID 167402090) is N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine is c1ccc(-c2ccc3c(c2)oc2c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc32)cc1.
What is the InChIKey of N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine?
The InChIKey is ORMHKZBBLOYEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-4-14-35(15-5-1)37-26-30-45-48-34-47(42-20-10-11-22-46(42)52(48)55-51(45)32-37)36-24-27-40(28-25-36)53(38-16-6-2-7-17-38)41-29-31-44-43-21-12-13-23-49(43)54(50(44)33-41)39-18-8-3-9-19-39/h1-34H.
What are the key properties of N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine?
N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 167402090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).