3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline

C58H39N — CID 167183914

IUPAC3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4)c3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C58H39N/c1-2-12-40(13-3-1)42-32-34-51(35-33-42)59(53-20-11-18-48(38-53)49-30-26-41-14-4-5-16-46(41)36-49)52-19-10-17-47(37-52)43-24-27-45(28-25-43)57-39-50-31-29-44-15-6-7-21-54(44)58(50)56-23-9-8-22-55(56)57/h1-39H
InChIKeyXUSQYNWENHQVHV-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline

3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 167183914) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID167183914
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC Name3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4)c3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C58H39N/c1-2-12-40(13-3-1)42-32-34-51(35-33-42)59(53-20-11-18-48(38-53)49-30-26-41-14-4-5-16-46(41)36-49)52-19-10-17-47(37-52)43-24-27-45(28-25-43)57-39-50-31-29-44-15-6-7-21-54(44)58(50)56-23-9-8-22-55(56)57/h1-39H
InChIKeyXUSQYNWENHQVHV-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.44
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-benzo[c]phenanthren-6-ylphenyl)-3-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183283
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
N-(3-benzo[c]phenanthren-5-ylphenyl)-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183480
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167181669
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
N-(3-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527571
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527468

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline (CID 167183914) is 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4)c3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1.
What is the InChIKey of 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is XUSQYNWENHQVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-2-12-40(13-3-1)42-32-34-51(35-33-42)59(53-20-11-18-48(38-53)49-30-26-41-14-4-5-16-46(41)36-49)52-19-10-17-47(37-52)43-24-27-45(28-25-43)57-39-50-31-29-44-15-6-7-21-54(44)58(50)56-23-9-8-22-55(56)57/h1-39H.
What are the key properties of 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline?
3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 749.96 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167183914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).