2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline

C35H22N2 — CID 129040255

IUPAC2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline
SMILESc1ccc(-c2nn3c(ccc4ccccc43)c2-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C35H22N2/c1-2-11-24(12-3-1)35-34(33-21-19-23-10-4-9-17-32(23)37(33)36-35)25-18-20-30-28-15-6-5-13-26(28)27-14-7-8-16-29(27)31(30)22-25/h1-22H
InChIKeyZMGZKAONEJFAHW-UHFFFAOYSA-N
MW470.58 g/mol
LogP9.28
Rot. Bonds2

About 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline

2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline (PubChem CID 129040255) has the molecular formula C35H22N2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline
PubChem CID129040255
Molecular FormulaC35H22N2
Molecular Weight470.58 g/mol
Exact Mass470.18
IUPAC Name2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline
SMILESc1ccc(-c2nn3c(ccc4ccccc43)c2-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C35H22N2/c1-2-11-24(12-3-1)35-34(33-21-19-23-10-4-9-17-32(23)37(33)36-35)25-18-20-30-28-15-6-5-13-26(28)27-14-7-8-16-29(27)31(30)22-25/h1-22H
InChIKeyZMGZKAONEJFAHW-UHFFFAOYSA-N
XLogP9.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline
CID 129040292
2,5-diphenyl-1-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 164927762
2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline
CID 129040100
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 153438362
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123785417
10-[4-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 164927998
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
CID 152898383
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline?
The IUPAC name of 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline (CID 129040255) is 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline is c1ccc(-c2nn3c(ccc4ccccc43)c2-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline?
The InChIKey is ZMGZKAONEJFAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2/c1-2-11-24(12-3-1)35-34(33-21-19-23-10-4-9-17-32(23)37(33)36-35)25-18-20-30-28-15-6-5-13-26(28)27-14-7-8-16-29(27)31(30)22-25/h1-22H.
What are the key properties of 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline?
2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline has a molecular weight of 470.58 g/mol, XLogP of 9.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline is sourced from PubChem (CID 129040255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).