N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C56H38N2 — CID 146508756

IUPACN-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c(-c7ccccc7)c7cc8ccccc8cn7c56)cc4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-13-39(14-4-1)41-29-33-48(34-30-41)58(53-24-11-20-43-15-9-10-21-50(43)53)49-35-31-42(32-36-49)40-25-27-44(28-26-40)51-22-12-23-52-55(45-16-5-2-6-17-45)54-37-46-18-7-8-19-47(46)38-57(54)56(51)52/h1-38H
InChIKeyFSQBMWCMPRUZHJ-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.54
Rot. Bonds7

About N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 146508756) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID146508756
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c(-c7ccccc7)c7cc8ccccc8cn7c56)cc4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-13-39(14-4-1)41-29-33-48(34-30-41)58(53-24-11-20-43-15-9-10-21-50(43)53)49-35-31-42(32-36-49)40-25-27-44(28-26-40)51-22-12-23-52-55(45-16-5-2-6-17-45)54-37-46-18-7-8-19-47(46)38-57(54)56(51)52/h1-38H
InChIKeyFSQBMWCMPRUZHJ-UHFFFAOYSA-N
XLogP15.54
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine
CID 146508958
N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine
CID 146508526
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508469
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59861292
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 146508756) is N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c(-c7ccccc7)c7cc8ccccc8cn7c56)cc4)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is FSQBMWCMPRUZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-13-39(14-4-1)41-29-33-48(34-30-41)58(53-24-11-20-43-15-9-10-21-50(43)53)49-35-31-42(32-36-49)40-25-27-44(28-26-40)51-22-12-23-52-55(45-16-5-2-6-17-45)54-37-46-18-7-8-19-47(46)38-57(54)56(51)52/h1-38H.
What are the key properties of N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 738.93 g/mol, XLogP of 15.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 146508756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).