N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine

C38H25NO — CID 170398760

IUPACN-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine
SMILESc1cc(-c2cc3ccccc3o2)cc(N(c2cccc3ccccc23)c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C38H25NO/c1-5-18-32-26(11-1)14-10-21-35(32)39(36-24-27-12-2-4-17-31(27)33-19-6-7-20-34(33)36)30-16-9-15-28(23-30)38-25-29-13-3-8-22-37(29)40-38/h1-25H
InChIKeyBMJLJQGYQSILAU-UHFFFAOYSA-N
MW511.62 g/mol
LogP11.03
Rot. Bonds4

About N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine

N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine (PubChem CID 170398760) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine
PubChem CID170398760
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC NameN-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine
SMILESc1cc(-c2cc3ccccc3o2)cc(N(c2cccc3ccccc23)c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C38H25NO/c1-5-18-32-26(11-1)14-10-21-35(32)39(36-24-27-12-2-4-17-31(27)33-19-6-7-20-34(33)36)30-16-9-15-28(23-30)38-25-29-13-3-8-22-37(29)40-38/h1-25H
InChIKeyBMJLJQGYQSILAU-UHFFFAOYSA-N
XLogP11.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine
CID 155067857
N-[6-[3-(1-benzofuran-2-yl)phenyl]naphthalen-2-yl]-N-naphthalen-2-ylphenanthren-9-amine
CID 170400508
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 170398640
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 170399532
N-[3-(1-benzofuran-2-yl)phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402033
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 167324318
3-(1-benzofuran-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 170398554
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402177
4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 170400798
N-[4-[3-(1-benzofuran-2-yl)phenyl]naphthalen-1-yl]-N-naphthalen-2-ylphenanthren-2-amine
CID 170400710
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine?
The IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine (CID 170398760) is N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine is c1cc(-c2cc3ccccc3o2)cc(N(c2cccc3ccccc23)c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine?
The InChIKey is BMJLJQGYQSILAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-5-18-32-26(11-1)14-10-21-35(32)39(36-24-27-12-2-4-17-31(27)33-19-6-7-20-34(33)36)30-16-9-15-28(23-30)38-25-29-13-3-8-22-37(29)40-38/h1-25H.
What are the key properties of N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine?
N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine has a molecular weight of 511.62 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine is sourced from PubChem (CID 170398760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).