1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene

C30H20O — CID 14982726

IUPAC1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene
SMILESc1ccc(C23OC(c4ccccc4)(c4ccccc42)c2c3ccc3ccccc23)cc1
InChIInChI=1S/C30H20O/c1-3-12-22(13-4-1)29-25-17-9-10-18-26(25)30(31-29,23-14-5-2-6-15-23)28-24-16-8-7-11-21(24)19-20-27(28)29/h1-20H
InChIKeyUTVSTBDSURZWLO-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.77
Rot. Bonds2

About 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene

1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene (PubChem CID 14982726) has the molecular formula C30H20O and a molecular weight of 396.49 g/mol. Its IUPAC name is 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene.

Molecular Properties

Compound Name1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene
PubChem CID14982726
Molecular FormulaC30H20O
Molecular Weight396.49 g/mol
Exact Mass396.15
IUPAC Name1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene
SMILESc1ccc(C23OC(c4ccccc4)(c4ccccc42)c2c3ccc3ccccc23)cc1
InChIInChI=1S/C30H20O/c1-3-12-22(13-4-1)29-25-17-9-10-18-26(25)30(31-29,23-14-5-2-6-15-23)28-24-16-8-7-11-21(24)19-20-27(28)29/h1-20H
InChIKeyUTVSTBDSURZWLO-UHFFFAOYSA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene with MolForge

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Related Compounds

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2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
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3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
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dimethyl 1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 15566984
dichlorotitanium;12-[(4R,5R)-5-(12-hydroxy-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-naphthalen-1-yl-2-phenyl-1,3-dioxolan-4-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol
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Frequently Asked Questions

What is the IUPAC name of 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene?
The IUPAC name of 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene (CID 14982726) is 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene.
What is the SMILES notation for 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene?
The canonical SMILES for 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene is c1ccc(C23OC(c4ccccc4)(c4ccccc42)c2c3ccc3ccccc23)cc1.
What is the InChIKey of 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene?
The InChIKey is UTVSTBDSURZWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O/c1-3-12-22(13-4-1)29-25-17-9-10-18-26(25)30(31-29,23-14-5-2-6-15-23)28-24-16-8-7-11-21(24)19-20-27(28)29/h1-20H.
What are the key properties of 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene?
1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene has a molecular weight of 396.49 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene is sourced from PubChem (CID 14982726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).