N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine

C38H25NO — CID 155067857

IUPACN-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine
SMILESc1ccc(-c2cc3cc(N(c4cccc5ccccc45)c4cc5ccccc5c5ccccc45)ccc3o2)cc1
InChIInChI=1S/C38H25NO/c1-2-12-27(13-3-1)38-25-29-23-30(21-22-37(29)40-38)39(35-20-10-15-26-11-4-7-17-32(26)35)36-24-28-14-5-6-16-31(28)33-18-8-9-19-34(33)36/h1-25H
InChIKeyBRJOFUBTPSQQRN-UHFFFAOYSA-N
MW511.62 g/mol
LogP11.03
Rot. Bonds4

About N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine

N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine (PubChem CID 155067857) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine
PubChem CID155067857
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC NameN-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine
SMILESc1ccc(-c2cc3cc(N(c4cccc5ccccc45)c4cc5ccccc5c5ccccc45)ccc3o2)cc1
InChIInChI=1S/C38H25NO/c1-2-12-27(13-3-1)38-25-29-23-30(21-22-37(29)40-38)39(35-20-10-15-26-11-4-7-17-32(26)35)36-24-28-14-5-6-16-31(28)33-18-8-9-19-34(33)36/h1-25H
InChIKeyBRJOFUBTPSQQRN-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-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 170398760
N-[6-[3-(1-benzofuran-2-yl)phenyl]naphthalen-2-yl]-N-naphthalen-2-ylphenanthren-9-amine
CID 170400508
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 170399532
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 170400134
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-phenylphenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163586209
N-[4-[3-(1-benzofuran-2-yl)phenyl]naphthalen-1-yl]-N-naphthalen-2-ylphenanthren-2-amine
CID 170400710
N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 155305684
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 167324318
N-[6-[3-(1-benzofuran-2-yl)phenyl]naphthalen-2-yl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 170400610
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine
CID 170401598
3-N-dibenzofuran-2-yl-10-N-naphthalen-1-yl-10-N-(4-naphthalen-1-ylphenyl)-3-N-phenylphenanthrene-3,10-diamine
CID 170283773

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine?
The IUPAC name of N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine (CID 155067857) is N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine?
The canonical SMILES for N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine is c1ccc(-c2cc3cc(N(c4cccc5ccccc45)c4cc5ccccc5c5ccccc45)ccc3o2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine?
The InChIKey is BRJOFUBTPSQQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-2-12-27(13-3-1)38-25-29-23-30(21-22-37(29)40-38)39(35-20-10-15-26-11-4-7-17-32(26)35)36-24-28-14-5-6-16-31(28)33-18-8-9-19-34(33)36/h1-25H.
What are the key properties of N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine?
N-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-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-naphthalen-1-yl-N-phenanthren-9-yl-2-phenyl-1-benzofuran-5-amine is sourced from PubChem (CID 155067857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).