5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline

C24H17N — CID 71484660

IUPAC5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4cccn34)cc2)cc1
InChIInChI=1S/C24H17N/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)24-17-21-9-4-5-10-22(21)23-11-6-16-25(23)24/h1-17H
InChIKeyCPVWXSJNDGNFJH-UHFFFAOYSA-N
MW319.41 g/mol
LogP6.43
Rot. Bonds2

About 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline

5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline (PubChem CID 71484660) has the molecular formula C24H17N and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline
PubChem CID71484660
Molecular FormulaC24H17N
Molecular Weight319.41 g/mol
Exact Mass319.14
IUPAC Name5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4cccn34)cc2)cc1
InChIInChI=1S/C24H17N/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)24-17-21-9-4-5-10-22(21)23-11-6-16-25(23)24/h1-17H
InChIKeyCPVWXSJNDGNFJH-UHFFFAOYSA-N
XLogP6.43
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole
CID 163207259
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137464
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447
9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 58879515
6-phenylisoquinolino[2,1-b]isoquinolin-8-one
CID 164679594
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915426

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline?
The IUPAC name of 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline (CID 71484660) is 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline is c1ccc(-c2ccc(-c3cc4ccccc4c4cccn34)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline?
The InChIKey is CPVWXSJNDGNFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N/c1-2-7-18(8-3-1)19-12-14-20(15-13-19)24-17-21-9-4-5-10-22(21)23-11-6-16-25(23)24/h1-17H.
What are the key properties of 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline?
5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline has a molecular weight of 319.41 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 71484660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).