N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

C52H34N2O — CID 170298904

IUPACN-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)oc4ccccc45)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1
InChIInChI=1S/C52H34N2O/c1-3-15-35(16-4-1)40-24-13-17-36-18-14-25-46(52(36)40)42-22-8-10-26-47(42)53(39-30-32-45-44-23-9-12-28-50(44)55-51(45)34-39)38-29-31-43-41-21-7-11-27-48(41)54(49(43)33-38)37-19-5-2-6-20-37/h1-34H
InChIKeyPJYOGSHCSQVVQI-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (PubChem CID 170298904) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
PubChem CID170298904
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)oc4ccccc45)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1
InChIInChI=1S/C52H34N2O/c1-3-15-35(16-4-1)40-24-13-17-36-18-14-25-46(52(36)40)42-22-8-10-26-47(42)53(39-30-32-45-44-23-9-12-28-50(44)55-51(45)34-39)38-29-31-43-41-21-7-11-27-48(41)54(49(43)33-38)37-19-5-2-6-20-37/h1-34H
InChIKeyPJYOGSHCSQVVQI-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-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298823
2-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298543
N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298395
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298779
N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298522
N-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298828
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
N-(3-dibenzofuran-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170298498
N-dibenzofuran-1-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009626

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (CID 170298904) is N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)oc4ccccc45)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The InChIKey is PJYOGSHCSQVVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-15-35(16-4-1)40-24-13-17-36-18-14-25-46(52(36)40)42-22-8-10-26-47(42)53(39-30-32-45-44-23-9-12-28-50(44)55-51(45)34-39)38-29-31-43-41-21-7-11-27-48(41)54(49(43)33-38)37-19-5-2-6-20-37/h1-34H.
What are the key properties of N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-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-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 170298904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).