N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

C46H31NO — CID 167397130

IUPACN-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4cccc(-c6ccccc6)c45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-12-32(13-4-1)33-24-26-34(27-25-33)35-28-30-38(31-29-35)47(42-21-9-17-36-16-7-8-18-39(36)42)43-22-10-20-41-45-40(37-14-5-2-6-15-37)19-11-23-44(45)48-46(41)43/h1-31H
InChIKeyUGFCSGRNDLHIRJ-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 167397130) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID167397130
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4cccc(-c6ccccc6)c45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-12-32(13-4-1)33-24-26-34(27-25-33)35-28-30-38(31-29-35)47(42-21-9-17-36-16-7-8-18-39(36)42)43-22-10-20-41-45-40(37-14-5-2-6-15-37)19-11-23-44(45)48-46(41)43/h1-31H
InChIKeyUGFCSGRNDLHIRJ-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzofuran-4-amine
CID 166055357
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 167397088
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
N-[4-(3,4-diphenylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167331201
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805257
N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 167324686
N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 167397130) is N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4cccc(-c6ccccc6)c45)cc3)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is UGFCSGRNDLHIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-12-32(13-4-1)33-24-26-34(27-25-33)35-28-30-38(31-29-35)47(42-21-9-17-36-16-7-8-18-39(36)42)43-22-10-20-41-45-40(37-14-5-2-6-15-37)19-11-23-44(45)48-46(41)43/h1-31H.
What are the key properties of N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 167397130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).