6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine

C56H36FN — CID 168810073

IUPAC6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine
SMILESFc1ccc2ccc3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)c(-c5ccccc5)c4)cc3c2c1
InChIInChI=1S/C56H36FN/c57-43-27-23-40-21-22-41-26-30-45(36-55(41)53(40)34-43)58(44-28-24-39(25-29-44)48-20-10-15-37-13-4-6-16-47(37)48)46-31-32-52(54(35-46)38-11-2-1-3-12-38)56-33-42-14-5-7-17-49(42)50-18-8-9-19-51(50)56/h1-36H
InChIKeyDKXVPVCEDHAJLP-UHFFFAOYSA-N
MW741.91 g/mol
LogP16.06
Rot. Bonds6

About 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine

6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine (PubChem CID 168810073) has the molecular formula C56H36FN and a molecular weight of 741.91 g/mol. Its IUPAC name is 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine
PubChem CID168810073
Molecular FormulaC56H36FN
Molecular Weight741.91 g/mol
Exact Mass741.28
IUPAC Name6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine
SMILESFc1ccc2ccc3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)c(-c5ccccc5)c4)cc3c2c1
InChIInChI=1S/C56H36FN/c57-43-27-23-40-21-22-41-26-30-45(36-55(41)53(40)34-43)58(44-28-24-39(25-29-44)48-20-10-15-37-13-4-6-16-47(37)48)46-31-32-52(54(35-46)38-11-2-1-3-12-38)56-33-42-14-5-7-17-49(42)50-18-8-9-19-51(50)56/h1-36H
InChIKeyDKXVPVCEDHAJLP-UHFFFAOYSA-N
XLogP16.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.91
LogP ≤ 516.06
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-(3,4-diphenylphenyl)-6-fluoro-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080980
N-[4-(4-fluorophenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080976
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501733
N-(3,4-diphenylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177080941
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(4-naphthalen-1-ylphenyl)-4-(2-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 163547627
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine?
The IUPAC name of 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine (CID 168810073) is 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine.
What is the SMILES notation for 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine?
The canonical SMILES for 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine is Fc1ccc2ccc3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)c(-c5ccccc5)c4)cc3c2c1.
What is the InChIKey of 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine?
The InChIKey is DKXVPVCEDHAJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36FN/c57-43-27-23-40-21-22-41-26-30-45(36-55(41)53(40)34-43)58(44-28-24-39(25-29-44)48-20-10-15-37-13-4-6-16-47(37)48)46-31-32-52(54(35-46)38-11-2-1-3-12-38)56-33-42-14-5-7-17-49(42)50-18-8-9-19-51(50)56/h1-36H.
What are the key properties of 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine?
6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine has a molecular weight of 741.91 g/mol, XLogP of 16.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-yl-3-phenylphenyl)phenanthren-3-amine is sourced from PubChem (CID 168810073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).