N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine

C39H27NO2 — CID 164774253

IUPACN-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine
SMILESCOc1ccc(N(c2ccc3ccccc3c2-c2cccc3ccccc23)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C39H27NO2/c1-41-29-23-21-28(22-24-29)40(34-17-9-19-37-39(34)33-15-6-7-18-36(33)42-37)35-25-20-27-11-3-5-14-31(27)38(35)32-16-8-12-26-10-2-4-13-30(26)32/h2-25H,1H3
InChIKeyDYTLYALXOKNSRW-UHFFFAOYSA-N
MW541.65 g/mol
LogP11.04
Rot. Bonds5

About N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine

N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine (PubChem CID 164774253) has the molecular formula C39H27NO2 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine
PubChem CID164774253
Molecular FormulaC39H27NO2
Molecular Weight541.65 g/mol
Exact Mass541.20
IUPAC NameN-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine
SMILESCOc1ccc(N(c2ccc3ccccc3c2-c2cccc3ccccc23)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C39H27NO2/c1-41-29-23-21-28(22-24-29)40(34-17-9-19-37-39(34)33-15-6-7-18-36(33)42-37)35-25-20-27-11-3-5-14-31(27)38(35)32-16-8-12-26-10-2-4-13-30(26)32/h2-25H,1H3
InChIKeyDYTLYALXOKNSRW-UHFFFAOYSA-N
XLogP11.04
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenyldibenzofuran-1-amine
CID 164774544
N-(4-methoxyphenyl)-1-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
CID 164774334
N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810557
N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine
CID 164774401
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152
bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)
CID 165020534
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 121325451
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810507
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
1-naphthalen-1-yl-N,N-diphenylnaphthalen-2-amine
CID 163843201

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine (CID 164774253) is N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine is COc1ccc(N(c2ccc3ccccc3c2-c2cccc3ccccc23)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine?
The InChIKey is DYTLYALXOKNSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO2/c1-41-29-23-21-28(22-24-29)40(34-17-9-19-37-39(34)33-15-6-7-18-36(33)42-37)35-25-20-27-11-3-5-14-31(27)38(35)32-16-8-12-26-10-2-4-13-30(26)32/h2-25H,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine?
N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine has a molecular weight of 541.65 g/mol, XLogP of 11.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 164774253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).