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

C46H31NO — CID 170400243

IUPACN-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4oc5ccccc5c4-c4ccccc4)c3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C46H31NO/c1-3-13-32(14-4-1)35-18-11-20-38(29-35)47(40-27-28-42-36(30-40)26-25-33-15-7-8-22-41(33)42)39-21-12-19-37(31-39)46-45(34-16-5-2-6-17-34)43-23-9-10-24-44(43)48-46/h1-31H
InChIKeyOIRCDEKOKFJDMS-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

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

N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (PubChem CID 170400243) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
PubChem CID170400243
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4oc5ccccc5c4-c4ccccc4)c3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C46H31NO/c1-3-13-32(14-4-1)35-18-11-20-38(29-35)47(40-27-28-42-36(30-40)26-25-33-15-7-8-22-41(33)42)39-21-12-19-37(31-39)46-45(34-16-5-2-6-17-34)43-23-9-10-24-44(43)48-46/h1-31H
InChIKeyOIRCDEKOKFJDMS-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-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
N-(4-phenanthren-2-ylphenyl)-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 170401634
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine
CID 170399133
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine
CID 170401768
3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400196
3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402234
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013
3-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402242
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
N-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-2-amine
CID 170400161
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-(4-naphthalen-2-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399078

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (CID 170400243) is N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is c1ccc(-c2cccc(N(c3cccc(-c4oc5ccccc5c4-c4ccccc4)c3)c3ccc4c(ccc5ccccc54)c3)c2)cc1.
What is the InChIKey of N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The InChIKey is OIRCDEKOKFJDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-13-32(14-4-1)35-18-11-20-38(29-35)47(40-27-28-42-36(30-40)26-25-33-15-7-8-22-41(33)42)39-21-12-19-37(31-39)46-45(34-16-5-2-6-17-34)43-23-9-10-24-44(43)48-46/h1-31H.
What are the key properties of N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
N-[3-(3-phenyl-1-benzofuran-2-yl)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-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 170400243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).