N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline

C53H38N2 — CID 146515398

IUPACN-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline
SMILESCc1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c4c6ccccc6ccn54)cc3)cc2)c1
InChIInChI=1S/C53H38N2/c1-37-11-10-17-44(35-37)40-21-28-47(29-22-40)55(46-26-19-39(20-27-46)38-12-4-2-5-13-38)48-30-23-41(24-31-48)45-25-32-51-50(36-45)52(43-15-6-3-7-16-43)53-49-18-9-8-14-42(49)33-34-54(51)53/h2-36H,1H3
InChIKeyUPRIPUJKWNXJKP-UHFFFAOYSA-N
MW702.90 g/mol
LogP14.69
Rot. Bonds7

About N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline

N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline (PubChem CID 146515398) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline
PubChem CID146515398
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC NameN-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline
SMILESCc1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c4c6ccccc6ccn54)cc3)cc2)c1
InChIInChI=1S/C53H38N2/c1-37-11-10-17-44(35-37)40-21-28-47(29-22-40)55(46-26-19-39(20-27-46)38-12-4-2-5-13-38)48-30-23-41(24-31-48)45-25-32-51-50(36-45)52(43-15-6-3-7-16-43)53-49-18-9-8-14-42(49)33-34-54(51)53/h2-36H,1H3
InChIKeyUPRIPUJKWNXJKP-UHFFFAOYSA-N
XLogP14.69
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-2-yl)phenyl]aniline
CID 146508711
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508469
4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
N-(3,5-diphenylphenyl)-N-[4-[2-methyl-5-[2-methyl-1-[4-(N-naphthalen-1-yl-3,5-diphenylanilino)phenyl]-3-phenylindol-5-yl]-3-phenylindol-1-yl]phenyl]naphthalen-1-amine;N-[4-[2-methyl-5-[2-methyl-1-[4-(4-methyl-N-(3-phenylphenyl)anilino)phenyl]-3-phenylindol-5-yl]-3-phenylindol-1-yl]phenyl]-N-(4-methylphenyl)-3-phenylaniline;N-[4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 159351263
N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine
CID 146508802
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline
CID 146508462
N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
CID 143566974
N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 146508974
4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 118122906
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
CID 12049245

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline?
The IUPAC name of N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline (CID 146515398) is N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline?
The canonical SMILES for N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline is Cc1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c4c6ccccc6ccn54)cc3)cc2)c1.
What is the InChIKey of N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline?
The InChIKey is UPRIPUJKWNXJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-37-11-10-17-44(35-37)40-21-28-47(29-22-40)55(46-26-19-39(20-27-46)38-12-4-2-5-13-38)48-30-23-41(24-31-48)45-25-32-51-50(36-45)52(43-15-6-3-7-16-43)53-49-18-9-8-14-42(49)33-34-54(51)53/h2-36H,1H3.
What are the key properties of N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline?
N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline has a molecular weight of 702.90 g/mol, XLogP of 14.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenyl)phenyl]-4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-10-yl)phenyl]aniline is sourced from PubChem (CID 146515398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).