N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine

C35H25NO — CID 129130059

IUPACN-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
SMILESCc1cccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccccc34)cc2)c1
InChIInChI=1S/C35H25NO/c1-24-7-6-10-27(21-24)26-13-16-29(17-14-26)36(30-18-15-25-8-2-3-9-28(25)22-30)31-19-20-33-32-11-4-5-12-34(32)37-35(33)23-31/h2-23H,1H3
InChIKeyBNQSJLLRTVBMJO-UHFFFAOYSA-N
MW475.59 g/mol
LogP10.18
Rot. Bonds4

About N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine

N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine (PubChem CID 129130059) has the molecular formula C35H25NO and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
PubChem CID129130059
Molecular FormulaC35H25NO
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC NameN-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
SMILESCc1cccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccccc34)cc2)c1
InChIInChI=1S/C35H25NO/c1-24-7-6-10-27(21-24)26-13-16-29(17-14-26)36(30-18-15-25-8-2-3-9-28(25)22-30)31-19-20-33-32-11-4-5-12-34(32)37-35(33)23-31/h2-23H,1H3
InChIKeyBNQSJLLRTVBMJO-UHFFFAOYSA-N
XLogP10.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine?
The IUPAC name of N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine (CID 129130059) is N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine?
The canonical SMILES for N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine is Cc1cccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccccc34)cc2)c1.
What is the InChIKey of N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine?
The InChIKey is BNQSJLLRTVBMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25NO/c1-24-7-6-10-27(21-24)26-13-16-29(17-14-26)36(30-18-15-25-8-2-3-9-28(25)22-30)31-19-20-33-32-11-4-5-12-34(32)37-35(33)23-31/h2-23H,1H3.
What are the key properties of N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine?
N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine has a molecular weight of 475.59 g/mol, XLogP of 10.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenyl)phenyl]-N-naphthalen-2-yldibenzofuran-3-amine is sourced from PubChem (CID 129130059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).