4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline

C52H36N2 — CID 146508928

IUPAC4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cn5c6ccccc6c(-c6ccccc6)c5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-14-37(15-5-1)39-24-30-43(31-25-39)54(44-32-26-40(27-33-44)38-16-6-2-7-17-38)45-34-28-41(29-35-45)49-36-53-50-23-13-12-22-48(50)51(42-18-8-3-9-19-42)52(53)47-21-11-10-20-46(47)49/h1-36H
InChIKeyYBJATZGPPDSXEV-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.38
Rot. Bonds7

About 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 146508928) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID146508928
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cn5c6ccccc6c(-c6ccccc6)c5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-14-37(15-5-1)39-24-30-43(31-25-39)54(44-32-26-40(27-33-44)38-16-6-2-7-17-38)45-34-28-41(29-35-45)49-36-53-50-23-13-12-22-48(50)51(42-18-8-3-9-19-42)52(53)47-21-11-10-20-46(47)49/h1-36H
InChIKeyYBJATZGPPDSXEV-UHFFFAOYSA-N
XLogP14.38
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine
CID 146509014
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline
CID 146508462
4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146509245
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-2-yl)phenyl]aniline
CID 146508711
4-phenyl-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 146508948
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
CID 118179927
4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508951
N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine
CID 146508836
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
N-[4-(1,3-diphenylpyrrolo[1,2-f]phenanthridin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 134394256

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 146508928) is 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cn5c6ccccc6c(-c6ccccc6)c5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is YBJATZGPPDSXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-14-37(15-5-1)39-24-30-43(31-25-39)54(44-32-26-40(27-33-44)38-16-6-2-7-17-38)45-34-28-41(29-35-45)49-36-53-50-23-13-12-22-48(50)51(42-18-8-3-9-19-42)52(53)47-21-11-10-20-46(47)49/h1-36H.
What are the key properties of 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 688.87 g/mol, XLogP of 14.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 146508928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).