4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C46H31NO — CID 177069342

IUPAC4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-11-32(12-4-1)34-19-21-35(22-20-34)36-25-27-40(28-26-36)47(39-15-5-2-6-16-39)43-30-29-41(38-24-23-33-13-7-8-14-37(33)31-38)46-45(43)42-17-9-10-18-44(42)48-46/h1-31H
InChIKeyKYJPVXSBBXAYEB-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069342) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069342
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-11-32(12-4-1)34-19-21-35(22-20-34)36-25-27-40(28-26-36)47(39-15-5-2-6-16-39)43-30-29-41(38-24-23-33-13-7-8-14-37(33)31-38)46-45(43)42-17-9-10-18-44(42)48-46/h1-31H
InChIKeyKYJPVXSBBXAYEB-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

4-naphthalen-2-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069783
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069663
4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069229
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168847734
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
4-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069235
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069342) is 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)c5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is KYJPVXSBBXAYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-11-32(12-4-1)34-19-21-35(22-20-34)36-25-27-40(28-26-36)47(39-15-5-2-6-16-39)43-30-29-41(38-24-23-33-13-7-8-14-37(33)31-38)46-45(43)42-17-9-10-18-44(42)48-46/h1-31H.
What are the key properties of 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-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 4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).