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

C58H39N — CID 167183800

IUPAC3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cc5ccc6ccccc6c5c5ccccc45)c3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H39N/c1-3-15-40(16-4-1)43-31-33-50(34-32-43)59(57-26-14-13-22-52(57)46-29-27-42-19-7-8-21-45(42)35-46)51-37-48(41-17-5-2-6-18-41)36-49(38-51)56-39-47-30-28-44-20-9-10-23-53(44)58(47)55-25-12-11-24-54(55)56/h1-39H
InChIKeyIRIRLXKJYIDGBA-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

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

3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167183800) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is 3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167183800
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC Name3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cc5ccc6ccccc6c5c5ccccc45)c3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C58H39N/c1-3-15-40(16-4-1)43-31-33-50(34-32-43)59(57-26-14-13-22-52(57)46-29-27-42-19-7-8-21-45(42)35-46)51-37-48(41-17-5-2-6-18-41)36-49(38-51)56-39-47-30-28-44-20-9-10-23-53(44)58(47)55-25-12-11-24-54(55)56/h1-39H
InChIKeyIRIRLXKJYIDGBA-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-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167182064
N-(3-benzo[c]phenanthren-5-ylphenyl)-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183480
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
3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167183914
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501510
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 171054315
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
2-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167271683
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59861292

Frequently Asked Questions

What is the IUPAC name of 3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline (CID 167183800) is 3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cc5ccc6ccccc6c5c5ccccc45)c3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is IRIRLXKJYIDGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-3-15-40(16-4-1)43-31-33-50(34-32-43)59(57-26-14-13-22-52(57)46-29-27-42-19-7-8-21-45(42)35-46)51-37-48(41-17-5-2-6-18-41)36-49(38-51)56-39-47-30-28-44-20-9-10-23-53(44)58(47)55-25-12-11-24-54(55)56/h1-39H.
What are the key properties of 3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline?
3-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-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-benzo[c]phenanthren-5-yl-N-(2-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167183800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).