1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline

C53H36N2 — CID 90297628

IUPAC1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c(-c4ccccc4)nn4c(-c5ccccc5)cc5cc(-c6ccccc6)c(-c6ccccc6)cc5c34)c2)cc1
InChIInChI=1S/C53H36N2/c1-7-19-37(20-8-1)43-31-44(38-21-9-2-10-22-38)33-46(32-43)51-52(42-29-17-6-18-30-42)54-55-50(41-27-15-5-16-28-41)35-45-34-47(39-23-11-3-12-24-39)48(36-49(45)53(51)55)40-25-13-4-14-26-40/h1-36H
InChIKeyGGCVPLPNDICASH-UHFFFAOYSA-N
MW700.89 g/mol
LogP14.16
Rot. Bonds7

About 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline

1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297628) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297628
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c(-c4ccccc4)nn4c(-c5ccccc5)cc5cc(-c6ccccc6)c(-c6ccccc6)cc5c34)c2)cc1
InChIInChI=1S/C53H36N2/c1-7-19-37(20-8-1)43-31-44(38-21-9-2-10-22-38)33-46(32-43)51-52(42-29-17-6-18-30-42)54-55-50(41-27-15-5-16-28-41)35-45-34-47(39-23-11-3-12-24-39)48(36-49(45)53(51)55)40-25-13-4-14-26-40/h1-36H
InChIKeyGGCVPLPNDICASH-UHFFFAOYSA-N
XLogP14.16
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328543
8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328661
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328776
1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 167328696
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
9-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328576
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328744
8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328640
1,2,5-triphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]pyrazolo[5,1-a]isoquinoline
CID 167328856
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
CID 167353023
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328582
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328729

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline (CID 90297628) is 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3c(-c4ccccc4)nn4c(-c5ccccc5)cc5cc(-c6ccccc6)c(-c6ccccc6)cc5c34)c2)cc1.
What is the InChIKey of 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is GGCVPLPNDICASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-7-19-37(20-8-1)43-31-44(38-21-9-2-10-22-38)33-46(32-43)51-52(42-29-17-6-18-30-42)54-55-50(41-27-15-5-16-28-41)35-45-34-47(39-23-11-3-12-24-39)48(36-49(45)53(51)55)40-25-13-4-14-26-40/h1-36H.
What are the key properties of 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline?
1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 700.89 g/mol, XLogP of 14.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).