4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline

C43H31N5 — CID 166960242

IUPAC4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline
SMILESC1=c2ccncc2=CCC1c1ccc(N(c2ccc(-c3ccc4cnccc4c3)cc2)c2ccc(-c3cn4ccccc4n3)cc2)cc1
InChIInChI=1S/C43H31N5/c1-2-24-47-29-42(46-43(47)3-1)32-12-18-41(19-13-32)48(39-14-8-30(9-15-39)33-4-6-37-27-44-22-20-35(37)25-33)40-16-10-31(11-17-40)34-5-7-38-28-45-23-21-36(38)26-34/h1-4,6-29,34H,5H2
InChIKeySDBFADTYIVCKNZ-UHFFFAOYSA-N
MW617.76 g/mol
LogP8.83
Rot. Bonds6

About 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline

4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline (PubChem CID 166960242) has the molecular formula C43H31N5 and a molecular weight of 617.76 g/mol. Its IUPAC name is 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline.

Molecular Properties

Compound Name4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline
PubChem CID166960242
Molecular FormulaC43H31N5
Molecular Weight617.76 g/mol
Exact Mass617.26
IUPAC Name4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline
SMILESC1=c2ccncc2=CCC1c1ccc(N(c2ccc(-c3ccc4cnccc4c3)cc2)c2ccc(-c3cn4ccccc4n3)cc2)cc1
InChIInChI=1S/C43H31N5/c1-2-24-47-29-42(46-43(47)3-1)32-12-18-41(19-13-32)48(39-14-8-30(9-15-39)33-4-6-37-27-44-22-20-35(37)25-33)40-16-10-31(11-17-40)34-5-7-38-28-45-23-21-36(38)26-34/h1-4,6-29,34H,5H2
InChIKeySDBFADTYIVCKNZ-UHFFFAOYSA-N
XLogP8.83
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.76
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anthracen-2-ylphenyl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)naphthalen-2-amine
CID 165150253
N-[(4R)-4-(1,3-benzoxazol-2-yl)cyclohexa-1,5-dien-1-yl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-naphthalen-2-ylaniline
CID 166960096
6-naphthalen-2-ylisoquinoline
CID 59724414
2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683
4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-bis(2,4,6-trimethylphenyl)quinoxalin-2-yl]phenyl]-N-phenylaniline
CID 88592203
N,N-bis(4-naphthalen-2-ylphenyl)-4-(4-thieno[3,2-c]pyridin-2-ylphenyl)aniline
CID 164744531
4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile
CID 141122443
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine
CID 159814445
5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole
CID 59282860
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403226

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline?
The IUPAC name of 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline (CID 166960242) is 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline.
What is the SMILES notation for 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline?
The canonical SMILES for 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline is C1=c2ccncc2=CCC1c1ccc(N(c2ccc(-c3ccc4cnccc4c3)cc2)c2ccc(-c3cn4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline?
The InChIKey is SDBFADTYIVCKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5/c1-2-24-47-29-42(46-43(47)3-1)32-12-18-41(19-13-32)48(39-14-8-30(9-15-39)33-4-6-37-27-44-22-20-35(37)25-33)40-16-10-31(11-17-40)34-5-7-38-28-45-23-21-36(38)26-34/h1-4,6-29,34H,5H2.
What are the key properties of 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline?
4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline has a molecular weight of 617.76 g/mol, XLogP of 8.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydroisoquinolin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-N-(4-isoquinolin-6-ylphenyl)aniline is sourced from PubChem (CID 166960242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).