N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C50H33NO — CID 176588207

IUPACN-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-10-34(11-3-1)36-20-25-41(26-21-36)51(43-29-31-47-46-16-8-9-17-48(46)52-49(47)33-43)42-27-22-38(23-28-42)45-30-24-37-13-6-7-15-44(37)50(45)40-19-18-35-12-4-5-14-39(35)32-40/h1-33H
InChIKeyREBDOZYDUJFQDU-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 176588207) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID176588207
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-10-34(11-3-1)36-20-25-41(26-21-36)51(43-29-31-47-46-16-8-9-17-48(46)52-49(47)33-43)42-27-22-38(23-28-42)45-30-24-37-13-6-7-15-44(37)50(45)40-19-18-35-12-4-5-14-39(35)32-40/h1-33H
InChIKeyREBDOZYDUJFQDU-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-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine
CID 139297893
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 172526971
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339
N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 159997769
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167184000
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790288
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 176588207) is N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is REBDOZYDUJFQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-10-34(11-3-1)36-20-25-41(26-21-36)51(43-29-31-47-46-16-8-9-17-48(46)52-49(47)33-43)42-27-22-38(23-28-42)45-30-24-37-13-6-7-15-44(37)50(45)40-19-18-35-12-4-5-14-39(35)32-40/h1-33H.
What are the key properties of N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-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-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176588207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).