N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine

C44H29NO — CID 176587466

IUPACN-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc4ccccc4cc3-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C44H29NO/c1-2-11-30(12-3-1)33-17-10-18-37(26-33)45(38-23-24-44-41(29-38)39-19-8-9-20-43(39)46-44)42-28-35-16-7-6-15-34(35)27-40(42)36-22-21-31-13-4-5-14-32(31)25-36/h1-29H
InChIKeyMRQVWRLRGCRHQW-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine

N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 176587466) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID176587466
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc4ccccc4cc3-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C44H29NO/c1-2-11-30(12-3-1)33-17-10-18-37(26-33)45(38-23-24-44-41(29-38)39-19-8-9-20-43(39)46-44)42-28-35-16-7-6-15-34(35)27-40(42)36-22-21-31-13-4-5-14-32(31)25-36/h1-29H
InChIKeyMRQVWRLRGCRHQW-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167233976
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N-(3-dibenzofuran-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236593
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N-[4-[3-naphthalen-2-yl-4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 146582612
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234579
N-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine (CID 176587466) is N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc4ccccc4cc3-c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is MRQVWRLRGCRHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-11-30(12-3-1)33-17-10-18-37(26-33)45(38-23-24-44-41(29-38)39-19-8-9-20-43(39)46-44)42-28-35-16-7-6-15-34(35)27-40(42)36-22-21-31-13-4-5-14-32(31)25-36/h1-29H.
What are the key properties of N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine?
N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176587466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).