2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline

C177H117N15 — CID 157219373

IUPAC2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)c(-c3ccccc3)n2)cc1.c1ccc(-c2nn3c(-c4ccccc4)cc4ccccc4c3c2-c2ccc(-c3cnc4ccccc4c3)cc2)cc1
InChIInChI=1S/C51H34N4.C45H30N4.C43H28N4.C38H25N3/c1-6-18-35(19-7-1)44-34-42-28-16-17-29-43(42)50-46(49(54-55(44)50)40-24-12-4-13-25-40)37-32-30-36(31-33-37)45-47(38-20-8-2-9-21-38)52-51(41-26-14-5-15-27-41)53-48(45)39-22-10-3-11-23-39;1-5-15-31(16-6-1)39-30-40(32-17-7-2-8-18-32)47-45(46-39)36-27-25-34(26-28-36)42-43(35-21-11-4-12-22-35)48-49-41(33-19-9-3-10-20-33)29-37-23-13-14-24-38(37)44(42)49;1-4-14-29(15-5-1)38-28-34-20-10-11-21-35(34)42-39(41(46-47(38)42)31-16-6-2-7-17-31)30-24-26-32(27-25-30)40-36-22-12-13-23-37(36)44-43(45-40)33-18-8-3-9-19-33;1-3-11-27(12-4-1)35-24-30-15-7-9-17-33(30)38-36(37(40-41(35)38)29-13-5-2-6-14-29)28-21-19-26(20-22-28)32-23-31-16-8-10-18-34(31)39-25-32/h1-34H;1-30H;1-28H;1-25H
InChIKeyASULLBCAULDWDX-UHFFFAOYSA-N
MW2453.99 g/mol
LogP44.70
Rot. Bonds22

About 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline

2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline (PubChem CID 157219373) has the molecular formula C177H117N15 and a molecular weight of 2453.99 g/mol. Its IUPAC name is 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
PubChem CID157219373
Molecular FormulaC177H117N15
Molecular Weight2453.99 g/mol
Exact Mass2451.96
IUPAC Name2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)c(-c3ccccc3)n2)cc1.c1ccc(-c2nn3c(-c4ccccc4)cc4ccccc4c3c2-c2ccc(-c3cnc4ccccc4c3)cc2)cc1
InChIInChI=1S/C51H34N4.C45H30N4.C43H28N4.C38H25N3/c1-6-18-35(19-7-1)44-34-42-28-16-17-29-43(42)50-46(49(54-55(44)50)40-24-12-4-13-25-40)37-32-30-36(31-33-37)45-47(38-20-8-2-9-21-38)52-51(41-26-14-5-15-27-41)53-48(45)39-22-10-3-11-23-39;1-5-15-31(16-6-1)39-30-40(32-17-7-2-8-18-32)47-45(46-39)36-27-25-34(26-28-36)42-43(35-21-11-4-12-22-35)48-49-41(33-19-9-3-10-20-33)29-37-23-13-14-24-38(37)44(42)49;1-4-14-29(15-5-1)38-28-34-20-10-11-21-35(34)42-39(41(46-47(38)42)31-16-6-2-7-17-31)30-24-26-32(27-25-30)40-36-22-12-13-23-37(36)44-43(45-40)33-18-8-3-9-19-33;1-3-11-27(12-4-1)35-24-30-15-7-9-17-33(30)38-36(37(40-41(35)38)29-13-5-2-6-14-29)28-21-19-26(20-22-28)32-23-31-16-8-10-18-34(31)39-25-32/h1-34H;1-30H;1-28H;1-25H
InChIKeyASULLBCAULDWDX-UHFFFAOYSA-N
XLogP44.70
TPSA159.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002453.99
LogP ≤ 544.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline with MolForge

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Related Compounds

N'-[7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-2-ethylquinolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 156304094
3-Pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58515204
7-(5-Methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine
CID 155513726
9-Fluoro-1,5-diphenyl-2-[9-(1,3,5-triazin-2-yl)carbazol-2-yl]pyrazolo[5,1-a]isoquinoline
CID 90297755
2-Methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
CID 91366751
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-16-methyl-4,9,16-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 123631446
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-22-ethyl-6,9,22-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 123704958
2-[2-[6-[2-[2-[6-[2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-fluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-7,8-dimethylquinoline
CID 124036193
2-[3-[5-[9-[2-Cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-3-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 137381474
2-[9-[2-[2-[3,6-Bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]pyridin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyridin-4-yl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 137383621
9-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]pyridin-2-yl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138578841
9-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]pyridin-3-yl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138578905

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline (CID 157219373) is 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)nn5c(-c6ccccc6)cc6ccccc6c45)cc3)c(-c3ccccc3)n2)cc1.c1ccc(-c2nn3c(-c4ccccc4)cc4ccccc4c3c2-c2ccc(-c3cnc4ccccc4c3)cc2)cc1.
What is the InChIKey of 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
The InChIKey is ASULLBCAULDWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4.C45H30N4.C43H28N4.C38H25N3/c1-6-18-35(19-7-1)44-34-42-28-16-17-29-43(42)50-46(49(54-55(44)50)40-24-12-4-13-25-40)37-32-30-36(31-33-37)45-47(38-20-8-2-9-21-38)52-51(41-26-14-5-15-27-41)53-48(45)39-22-10-3-11-23-39;1-5-15-31(16-6-1)39-30-40(32-17-7-2-8-18-32)47-45(46-39)36-27-25-34(26-28-36)42-43(35-21-11-4-12-22-35)48-49-41(33-19-9-3-10-20-33)29-37-23-13-14-24-38(37)44(42)49;1-4-14-29(15-5-1)38-28-34-20-10-11-21-35(34)42-39(41(46-47(38)42)31-16-6-2-7-17-31)30-24-26-32(27-25-30)40-36-22-12-13-23-37(36)44-43(45-40)33-18-8-3-9-19-33;1-3-11-27(12-4-1)35-24-30-15-7-9-17-33(30)38-36(37(40-41(35)38)29-13-5-2-6-14-29)28-21-19-26(20-22-28)32-23-31-16-8-10-18-34(31)39-25-32/h1-34H;1-30H;1-28H;1-25H.
What are the key properties of 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline?
2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 2453.99 g/mol, XLogP of 44.70, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-(4-quinolin-3-ylphenyl)pyrazolo[5,1-a]isoquinoline;2,5-diphenyl-1-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 157219373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).