5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole

C35H31N3 — CID 58663550

IUPAC5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-n4c5c(c6ccccc64)CCCCCC5)cc3)n2)cc1
InChIInChI=1S/C35H31N3/c1-2-10-19-33-30(17-9-1)31-18-11-12-20-34(31)37(33)28-21-23-29(24-22-28)38-35(27-15-7-4-8-16-27)25-32(36-38)26-13-5-3-6-14-26/h3-8,11-16,18,20-25H,1-2,9-10,17,19H2
InChIKeyGTUYNFPFKXBCSP-UHFFFAOYSA-N
MW493.65 g/mol
LogP8.81
Rot. Bonds4

About 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole

5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole (PubChem CID 58663550) has the molecular formula C35H31N3 and a molecular weight of 493.65 g/mol. Its IUPAC name is 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole.

Molecular Properties

Compound Name5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole
PubChem CID58663550
Molecular FormulaC35H31N3
Molecular Weight493.65 g/mol
Exact Mass493.25
IUPAC Name5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-n4c5c(c6ccccc64)CCCCCC5)cc3)n2)cc1
InChIInChI=1S/C35H31N3/c1-2-10-19-33-30(17-9-1)31-18-11-12-20-34(31)37(33)28-21-23-29(24-22-28)38-35(27-15-7-4-8-16-27)25-32(36-38)26-13-5-3-6-14-26/h3-8,11-16,18,20-25H,1-2,9-10,17,19H2
InChIKeyGTUYNFPFKXBCSP-UHFFFAOYSA-N
XLogP8.81
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole with MolForge

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Related Compounds

9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
CID 59499912
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
9-[4-[2-[2-[4-[3-phenyl-5-(2-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501204
1,3,5-triphenylpyrazole
CID 626614
9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydrocarbazole
CID 58663612
11,12-bis(4-phenylphenyl)-7,8,9,10-tetrahydroindolo[2,3-a]carbazole
CID 90055071
1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole
CID 71016751
3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 59501236
9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
CID 59501166
11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole
CID 90055114

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole?
The IUPAC name of 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole (CID 58663550) is 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole.
What is the SMILES notation for 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole?
The canonical SMILES for 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole is c1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-n4c5c(c6ccccc64)CCCCCC5)cc3)n2)cc1.
What is the InChIKey of 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole?
The InChIKey is GTUYNFPFKXBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3/c1-2-10-19-33-30(17-9-1)31-18-11-12-20-34(31)37(33)28-21-23-29(24-22-28)38-35(27-15-7-4-8-16-27)25-32(36-38)26-13-5-3-6-14-26/h3-8,11-16,18,20-25H,1-2,9-10,17,19H2.
What are the key properties of 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole?
5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole has a molecular weight of 493.65 g/mol, XLogP of 8.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole is sourced from PubChem (CID 58663550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).