N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C50H33NO — CID 177097176

IUPACN-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-12-34(13-3-1)35-24-26-38(27-25-35)51(40-29-31-47-46-20-8-9-23-49(46)52-50(47)33-40)39-28-30-45(43-21-10-16-36-14-4-6-18-41(36)43)48(32-39)44-22-11-17-37-15-5-7-19-42(37)44/h1-33H
InChIKeyAHGDFYBDJJWPQA-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 177097176) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID177097176
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-12-34(13-3-1)35-24-26-38(27-25-35)51(40-29-31-47-46-20-8-9-23-49(46)52-50(47)33-40)39-28-30-45(43-21-10-16-36-14-4-6-18-41(36)43)48(32-39)44-22-11-17-37-15-5-7-19-42(37)44/h1-33H
InChIKeyAHGDFYBDJJWPQA-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine
CID 139297893
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589618
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170066113
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274624
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,4-diphenylaniline
CID 170541898

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 177097176) is N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is AHGDFYBDJJWPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-12-34(13-3-1)35-24-26-38(27-25-35)51(40-29-31-47-46-20-8-9-23-49(46)52-50(47)33-40)39-28-30-45(43-21-10-16-36-14-4-6-18-41(36)43)48(32-39)44-22-11-17-37-15-5-7-19-42(37)44/h1-33H.
What are the key properties of N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177097176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).