12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)

C33H20Y2-2 — CID 171469451

IUPAC12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)
SMILES[Y].[Y].[c-]1ccc(C2(c3cc[c-]cc3)c3cc4ccccc4cc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C33H20.2Y/c1-3-15-27(16-4-1)33(28-17-5-2-6-18-28)31-21-25-13-9-7-11-23(25)19-29(31)30-20-24-12-8-10-14-26(24)22-32(30)33;;/h3-22H;;/q-2;;
InChIKeyQCUHKBMFCJULCE-UHFFFAOYSA-N
MW594.34 g/mol
LogP7.95
Rot. Bonds2

About 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)

12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium) (PubChem CID 171469451) has the molecular formula C33H20Y2-2 and a molecular weight of 594.34 g/mol. Its IUPAC name is 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium).

Molecular Properties

Compound Name12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)
PubChem CID171469451
Molecular FormulaC33H20Y2-2
Molecular Weight594.34 g/mol
Exact Mass593.97
IUPAC Name12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)
SMILES[Y].[Y].[c-]1ccc(C2(c3cc[c-]cc3)c3cc4ccccc4cc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C33H20.2Y/c1-3-15-27(16-4-1)33(28-17-5-2-6-18-28)31-21-25-13-9-7-11-23(25)19-29(31)30-20-24-12-8-10-14-26(24)22-32(30)33;;/h3-22H;;/q-2;;
InChIKeyQCUHKBMFCJULCE-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.34
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium) with MolForge

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Related Compounds

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11-(6,7-dimethylnaphthalen-2-yl)-11-[4-[4-[9-(6,7-dimethylnaphthalen-2-yl)fluoren-9-yl]phenyl]phenyl]benzo[b]fluorene
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N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
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12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
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7-(11,11-diphenylbenzo[b]fluoren-3-yl)-5-phenyl-1,6-naphthyridine
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2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
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2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
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12-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
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Frequently Asked Questions

What is the IUPAC name of 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)?
The IUPAC name of 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium) (CID 171469451) is 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium).
What is the SMILES notation for 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)?
The canonical SMILES for 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium) is [Y].[Y].[c-]1ccc(C2(c3cc[c-]cc3)c3cc4ccccc4cc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)?
The InChIKey is QCUHKBMFCJULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20.2Y/c1-3-15-27(16-4-1)33(28-17-5-2-6-18-28)31-21-25-13-9-7-11-23(25)19-29(31)30-20-24-12-8-10-14-26(24)22-32(30)33;;/h3-22H;;/q-2;;.
What are the key properties of 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium)?
12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium) has a molecular weight of 594.34 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-di(phenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;bis(yttrium) is sourced from PubChem (CID 171469451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).