4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene

C32H20 — CID 173150668

IUPAC4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
SMILESc1ccc(-c2ccccc2-c2cccc3ccc4c(c23)-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C32H20/c1-2-9-21(10-3-1)24-14-4-5-15-25(24)26-16-7-13-23-19-20-28-27-17-6-11-22-12-8-18-29(30(22)27)32(28)31(23)26/h1-20H
InChIKeyCHVKZCNOBZTNDN-UHFFFAOYSA-N
MW404.51 g/mol
LogP8.97
Rot. Bonds2

About 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene

4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene (PubChem CID 173150668) has the molecular formula C32H20 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene.

Molecular Properties

Compound Name4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
PubChem CID173150668
Molecular FormulaC32H20
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
SMILESc1ccc(-c2ccccc2-c2cccc3ccc4c(c23)-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C32H20/c1-2-9-21(10-3-1)24-14-4-5-15-25(24)26-16-7-13-23-19-20-28-27-17-6-11-22-12-8-18-29(30(22)27)32(28)31(23)26/h1-20H
InChIKeyCHVKZCNOBZTNDN-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene with MolForge

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Related Compounds

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1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
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CID 146321374
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CID 174610298
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene?
The IUPAC name of 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene (CID 173150668) is 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene.
What is the SMILES notation for 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene?
The canonical SMILES for 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene is c1ccc(-c2ccccc2-c2cccc3ccc4c(c23)-c2cccc3cccc-4c23)cc1.
What is the InChIKey of 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene?
The InChIKey is CHVKZCNOBZTNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20/c1-2-9-21(10-3-1)24-14-4-5-15-25(24)26-16-7-13-23-19-20-28-27-17-6-11-22-12-8-18-29(30(22)27)32(28)31(23)26/h1-20H.
What are the key properties of 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene?
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene has a molecular weight of 404.51 g/mol, XLogP of 8.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene is sourced from PubChem (CID 173150668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).