N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine

C48H32FN — CID 177080980

IUPACN-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
SMILESFc1ccc2ccc3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3c2c1
InChIInChI=1S/C48H32FN/c49-39-24-20-37-18-19-38-23-27-41(32-48(38)46(37)30-39)50(40-25-21-36(22-26-40)44-17-9-15-34-14-7-8-16-43(34)44)42-28-29-45(33-10-3-1-4-11-33)47(31-42)35-12-5-2-6-13-35/h1-32H
InChIKeyMBIZROKBXOCJEZ-UHFFFAOYSA-N
MW641.79 g/mol
LogP13.76
Rot. Bonds6

About N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine

N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine (PubChem CID 177080980) has the molecular formula C48H32FN and a molecular weight of 641.79 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
PubChem CID177080980
Molecular FormulaC48H32FN
Molecular Weight641.79 g/mol
Exact Mass641.25
IUPAC NameN-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
SMILESFc1ccc2ccc3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3c2c1
InChIInChI=1S/C48H32FN/c49-39-24-20-37-18-19-38-23-27-41(32-48(38)46(37)30-39)50(40-25-21-36(22-26-40)44-17-9-15-34-14-7-8-16-43(34)44)42-28-29-45(33-10-3-1-4-11-33)47(31-42)35-12-5-2-6-13-35/h1-32H
InChIKeyMBIZROKBXOCJEZ-UHFFFAOYSA-N
XLogP13.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.79
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080976
6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine
CID 168810073
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N-(3,4-diphenylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177080941
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
N-(4-benzo[g]phenanthren-4-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167183300

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine (CID 177080980) is N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine is Fc1ccc2ccc3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3c2c1.
What is the InChIKey of N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine?
The InChIKey is MBIZROKBXOCJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32FN/c49-39-24-20-37-18-19-38-23-27-41(32-48(38)46(37)30-39)50(40-25-21-36(22-26-40)44-17-9-15-34-14-7-8-16-43(34)44)42-28-29-45(33-10-3-1-4-11-33)47(31-42)35-12-5-2-6-13-35/h1-32H.
What are the key properties of N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine?
N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine has a molecular weight of 641.79 g/mol, XLogP of 13.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine is sourced from PubChem (CID 177080980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).