15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene

C35H26 — CID 142380416

IUPAC15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene
SMILESCC1C2c3ccccc3-c3cc4c(cc3C12)C(c1ccccc1)(c1ccccc1)c1ccccc1-4
InChIInChI=1S/C35H26/c1-22-33-27-18-9-8-16-25(27)28-20-29-26-17-10-11-19-31(26)35(23-12-4-2-5-13-23,24-14-6-3-7-15-24)32(29)21-30(28)34(22)33/h2-22,33-34H,1H3
InChIKeyLHQZZPUQJDICNJ-UHFFFAOYSA-N
MW446.59 g/mol
LogP8.55
Rot. Bonds2

About 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene

15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene (PubChem CID 142380416) has the molecular formula C35H26 and a molecular weight of 446.59 g/mol. Its IUPAC name is 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene.

Molecular Properties

Compound Name15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene
PubChem CID142380416
Molecular FormulaC35H26
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene
SMILESCC1C2c3ccccc3-c3cc4c(cc3C12)C(c1ccccc1)(c1ccccc1)c1ccccc1-4
InChIInChI=1S/C35H26/c1-22-33-27-18-9-8-16-25(27)28-20-29-26-17-10-11-19-31(26)35(23-12-4-2-5-13-23,24-14-6-3-7-15-24)32(29)21-30(28)34(22)33/h2-22,33-34H,1H3
InChIKeyLHQZZPUQJDICNJ-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene?
The IUPAC name of 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene (CID 142380416) is 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene.
What is the SMILES notation for 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene?
The canonical SMILES for 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene is CC1C2c3ccccc3-c3cc4c(cc3C12)C(c1ccccc1)(c1ccccc1)c1ccccc1-4.
What is the InChIKey of 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene?
The InChIKey is LHQZZPUQJDICNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26/c1-22-33-27-18-9-8-16-25(27)28-20-29-26-17-10-11-19-31(26)35(23-12-4-2-5-13-23,24-14-6-3-7-15-24)32(29)21-30(28)34(22)33/h2-22,33-34H,1H3.
What are the key properties of 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene?
15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene has a molecular weight of 446.59 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene is sourced from PubChem (CID 142380416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).