1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline

C42H28N4 — CID 155029591

IUPAC1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc4c23)cc1
InChIInChI=1S/C42H28N4/c1-4-14-29(15-5-1)36-28-43-46-40(31-16-6-2-7-17-31)39(34-20-10-11-21-35(34)41(36)46)30-24-26-32(27-25-30)42-44-37-22-12-13-23-38(37)45(42)33-18-8-3-9-19-33/h1-28H
InChIKeyHTQPTSBAXAACHF-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.49
Rot. Bonds5

About 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline

1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline (PubChem CID 155029591) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline
PubChem CID155029591
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc4c23)cc1
InChIInChI=1S/C42H28N4/c1-4-14-29(15-5-1)36-28-43-46-40(31-16-6-2-7-17-31)39(34-20-10-11-21-35(34)41(36)46)30-24-26-32(27-25-30)42-44-37-22-12-13-23-38(37)45(42)33-18-8-3-9-19-33/h1-28H
InChIKeyHTQPTSBAXAACHF-UHFFFAOYSA-N
XLogP10.49
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155029490
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
CID 166656592
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
CID 59182934
1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155158969
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline (CID 155029591) is 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline is c1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc4c23)cc1.
What is the InChIKey of 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The InChIKey is HTQPTSBAXAACHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-4-14-29(15-5-1)36-28-43-46-40(31-16-6-2-7-17-31)39(34-20-10-11-21-35(34)41(36)46)30-24-26-32(27-25-30)42-44-37-22-12-13-23-38(37)45(42)33-18-8-3-9-19-33/h1-28H.
What are the key properties of 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 588.71 g/mol, XLogP of 10.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 155029591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).