N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine

C46H31NO — CID 170398386

IUPACN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C46H31NO/c1-2-11-32(12-3-1)35-15-10-16-39(29-35)47(40-27-28-43-36(30-40)22-21-33-13-4-6-17-41(33)43)38-25-23-34(24-26-38)42-18-7-8-19-44(42)46-31-37-14-5-9-20-45(37)48-46/h1-31H
InChIKeyODBHFDIMWNLCFD-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (PubChem CID 170398386) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
PubChem CID170398386
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C46H31NO/c1-2-11-32(12-3-1)35-15-10-16-39(29-35)47(40-27-28-43-36(30-40)22-21-33-13-4-6-17-41(33)43)38-25-23-34(24-26-38)42-18-7-8-19-44(42)46-31-37-14-5-9-20-45(37)48-46/h1-31H
InChIKeyODBHFDIMWNLCFD-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
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-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 170398318
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 170399789
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398306
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-ylaniline
CID 170526349
2-(1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-(3-phenylphenyl)aniline
CID 170398952
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 170399846
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 170526127
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 170398451
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 170399851
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170399711
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402092
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399776

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (CID 170398386) is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1.
What is the InChIKey of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The InChIKey is ODBHFDIMWNLCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-2-11-32(12-3-1)35-15-10-16-39(29-35)47(40-27-28-43-36(30-40)22-21-33-13-4-6-17-41(33)43)38-25-23-34(24-26-38)42-18-7-8-19-44(42)46-31-37-14-5-9-20-45(37)48-46/h1-31H.
What are the key properties of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 170398386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).