N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine

C58H38N2 — CID 146508718

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c3ccccc3n3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cc6ccccc6c6ccccc56)cc4)cc4ccccc4c23)cc1
InChIInChI=1S/C58H38N2/c1-2-16-42(17-3-1)57-53-26-12-13-28-54(53)60-55(37-44-19-6-9-23-50(44)58(57)60)41-31-35-46(36-32-41)59(56-38-43-18-5-8-22-49(43)51-24-10-11-25-52(51)56)45-33-29-40(30-34-45)48-27-14-20-39-15-4-7-21-47(39)48/h1-38H
InChIKeyUQXBIFXGJNMLFG-UHFFFAOYSA-N
MW762.96 g/mol
LogP16.18
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine (PubChem CID 146508718) has the molecular formula C58H38N2 and a molecular weight of 762.96 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine
PubChem CID146508718
Molecular FormulaC58H38N2
Molecular Weight762.96 g/mol
Exact Mass762.30
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c3ccccc3n3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cc6ccccc6c6ccccc56)cc4)cc4ccccc4c23)cc1
InChIInChI=1S/C58H38N2/c1-2-16-42(17-3-1)57-53-26-12-13-28-54(53)60-55(37-44-19-6-9-23-50(44)58(57)60)41-31-35-46(36-32-41)59(56-38-43-18-5-8-22-49(43)51-24-10-11-25-52(51)56)45-33-29-40(30-34-45)48-27-14-20-39-15-4-7-21-47(39)48/h1-38H
InChIKeyUQXBIFXGJNMLFG-UHFFFAOYSA-N
XLogP16.18
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 153475781
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
CID 168810061
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-9-amine
CID 166660529
N-(4-naphthalen-1-ylphenyl)-3-(8-phenylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine;3-(8-phenylnaphthalen-1-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-3-(10-phenylphenanthren-9-yl)aniline
CID 161303851
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 167003351
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234152
N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 163910164
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809817

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine (CID 146508718) is N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine is c1ccc(-c2c3ccccc3n3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cc6ccccc6c6ccccc56)cc4)cc4ccccc4c23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine?
The InChIKey is UQXBIFXGJNMLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2/c1-2-16-42(17-3-1)57-53-26-12-13-28-54(53)60-55(37-44-19-6-9-23-50(44)58(57)60)41-31-35-46(36-32-41)59(56-38-43-18-5-8-22-49(43)51-24-10-11-25-52(51)56)45-33-29-40(30-34-45)48-27-14-20-39-15-4-7-21-47(39)48/h1-38H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine has a molecular weight of 762.96 g/mol, XLogP of 16.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-6-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 146508718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).