N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

C52H35NO — CID 168788997

IUPACN-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C52H35NO/c1-3-16-36(17-4-1)43-25-9-10-27-48(43)52-45(38-18-5-2-6-19-38)29-15-30-49(52)53(41-32-33-47-46-26-11-12-31-50(46)54-51(47)35-41)40-23-13-22-39(34-40)44-28-14-21-37-20-7-8-24-42(37)44/h1-35H
InChIKeyUIMQZMUERQETHM-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 168788997) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID168788997
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C52H35NO/c1-3-16-36(17-4-1)43-25-9-10-27-48(43)52-45(38-18-5-2-6-19-38)29-15-30-49(52)53(41-32-33-47-46-26-11-12-31-50(46)54-51(47)35-41)40-23-13-22-39(34-40)44-28-14-21-37-20-7-8-24-42(37)44/h1-35H
InChIKeyUIMQZMUERQETHM-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168790250
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325582
2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline
CID 170666327
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790288
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine
CID 167397702
N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168789935
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
2-dibenzofuran-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324805
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 168788997) is N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is UIMQZMUERQETHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-16-36(17-4-1)43-25-9-10-27-48(43)52-45(38-18-5-2-6-19-38)29-15-30-49(52)53(41-32-33-47-46-26-11-12-31-50(46)54-51(47)35-41)40-23-13-22-39(34-40)44-28-14-21-37-20-7-8-24-42(37)44/h1-35H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 168788997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).