N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline

C58H39N — CID 167183896

IUPACN-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3cccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)c3)c2)cc1
InChIInChI=1S/C58H39N/c1-2-13-41(14-3-1)54-23-8-9-26-57(54)59(50-34-31-43(32-35-50)53-25-12-17-40-15-4-6-22-52(40)53)51-21-11-20-47(39-51)45-18-10-19-46(37-45)48-33-36-56-49(38-48)30-29-44-28-27-42-16-5-7-24-55(42)58(44)56/h1-39H
InChIKeyFEBMCFMGXNNEAL-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline

N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline (PubChem CID 167183896) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
PubChem CID167183896
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC NameN-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3cccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)c3)c2)cc1
InChIInChI=1S/C58H39N/c1-2-13-41(14-3-1)54-23-8-9-26-57(54)59(50-34-31-43(32-35-50)53-25-12-17-40-15-4-6-22-52(40)53)51-21-11-20-47(39-51)45-18-10-19-46(37-45)48-33-36-56-49(38-48)30-29-44-28-27-42-16-5-7-24-55(42)58(44)56/h1-39H
InChIKeyFEBMCFMGXNNEAL-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[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163563772
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-6-amine
CID 177100449
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
2-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 177100332
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
N-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788936
1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
CID 176587601

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline (CID 167183896) is N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3cccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)c3)c2)cc1.
What is the InChIKey of N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
The InChIKey is FEBMCFMGXNNEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-2-13-41(14-3-1)54-23-8-9-26-57(54)59(50-34-31-43(32-35-50)53-25-12-17-40-15-4-6-22-52(40)53)51-21-11-20-47(39-51)45-18-10-19-46(37-45)48-33-36-56-49(38-48)30-29-44-28-27-42-16-5-7-24-55(42)58(44)56/h1-39H.
What are the key properties of N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline 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 N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 167183896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).