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

C46H32N2 — CID 146508462

IUPACN,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline
SMILESc1ccc(-c2c3ccccc3n3ccc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cccc4c23)cc1
InChIInChI=1S/C46H32N2/c1-4-13-36(14-5-1)45-43-19-10-11-22-44(43)47-32-31-41-40(20-12-21-42(41)46(45)47)35-25-23-33(24-26-35)34-27-29-39(30-28-34)48(37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-32H
InChIKeyRWDUMYKCGRIUCJ-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.72
Rot. Bonds6

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

N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline (PubChem CID 146508462) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline
PubChem CID146508462
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC NameN,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline
SMILESc1ccc(-c2c3ccccc3n3ccc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cccc4c23)cc1
InChIInChI=1S/C46H32N2/c1-4-13-36(14-5-1)45-43-19-10-11-22-44(43)47-32-31-41-40(20-12-21-42(41)46(45)47)35-25-23-33(24-26-35)34-27-29-39(30-28-34)48(37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-32H
InChIKeyRWDUMYKCGRIUCJ-UHFFFAOYSA-N
XLogP12.72
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508928
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-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
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
12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine
CID 146509014
N-(4-naphthalen-1-ylphenyl)-N-[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]-4-(4-phenylphenyl)aniline
CID 146508947
3-(3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaen-20-yl)-N,N-diphenylaniline
CID 156900561
N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 118601869
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508892
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
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline (CID 146508462) is N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline is c1ccc(-c2c3ccccc3n3ccc4c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cccc4c23)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline?
The InChIKey is RWDUMYKCGRIUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-4-13-36(14-5-1)45-43-19-10-11-22-44(43)47-32-31-41-40(20-12-21-42(41)46(45)47)35-25-23-33(24-26-35)34-27-29-39(30-28-34)48(37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-32H.
What are the key properties of N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline?
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline has a molecular weight of 612.78 g/mol, XLogP of 12.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline is sourced from PubChem (CID 146508462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).