15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene

C36H24O2 — CID 6432395

IUPAC15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene
SMILESOOC1(c2ccccc2)c2ccccc2C2(c3ccccc3)c3ccccc3-c3c2c1cc1ccccc31
InChIInChI=1S/C36H24O2/c37-38-36(26-16-5-2-6-17-26)31-22-12-11-21-30(31)35(25-14-3-1-4-15-25)29-20-10-9-19-28(29)33-27-18-8-7-13-24(27)23-32(36)34(33)35/h1-23,37H
InChIKeyUYLAXOXCAZDDLY-UHFFFAOYSA-N
MW488.59 g/mol
LogP8.30
Rot. Bonds3

About 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene

15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene (PubChem CID 6432395) has the molecular formula C36H24O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene.

Molecular Properties

Compound Name15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene
PubChem CID6432395
Molecular FormulaC36H24O2
Molecular Weight488.59 g/mol
Exact Mass488.18
IUPAC Name15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene
SMILESOOC1(c2ccccc2)c2ccccc2C2(c3ccccc3)c3ccccc3-c3c2c1cc1ccccc31
InChIInChI=1S/C36H24O2/c37-38-36(26-16-5-2-6-17-26)31-22-12-11-21-30(31)35(25-14-3-1-4-15-25)29-20-10-9-19-28(29)33-27-18-8-7-13-24(27)23-32(36)34(33)35/h1-23,37H
InChIKeyUYLAXOXCAZDDLY-UHFFFAOYSA-N
XLogP8.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene with MolForge

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Related Compounds

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2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline
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2-(11,11-diphenylbenzo[a]fluoren-6-yl)-4,6-diphenyl-1,3,5-triazine
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9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
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CID 140863592
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
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2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
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9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline
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4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992

Frequently Asked Questions

What is the IUPAC name of 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene?
The IUPAC name of 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene (CID 6432395) is 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene.
What is the SMILES notation for 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene?
The canonical SMILES for 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene is OOC1(c2ccccc2)c2ccccc2C2(c3ccccc3)c3ccccc3-c3c2c1cc1ccccc31.
What is the InChIKey of 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene?
The InChIKey is UYLAXOXCAZDDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O2/c37-38-36(26-16-5-2-6-17-26)31-22-12-11-21-30(31)35(25-14-3-1-4-15-25)29-20-10-9-19-28(29)33-27-18-8-7-13-24(27)23-32(36)34(33)35/h1-23,37H.
What are the key properties of 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene?
15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene has a molecular weight of 488.59 g/mol, XLogP of 8.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroperoxy-8,15-diphenylhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(24),2,4,6,9,11,13,16,18,20,22-undecaene is sourced from PubChem (CID 6432395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).