18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene

C32H20 — CID 140529722

IUPAC18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
SMILESc1ccc(-c2cc3cccc4c3c(c2-c2ccccc2)-c2c-4ccc3ccccc23)cc1
InChIInChI=1S/C32H20/c1-3-10-21(11-4-1)28-20-24-15-9-17-26-27-19-18-22-12-7-8-16-25(22)31(27)32(30(24)26)29(28)23-13-5-2-6-14-23/h1-20H
InChIKeyAKJYCUBHAHKANS-UHFFFAOYSA-N
MW404.51 g/mol
LogP8.97
Rot. Bonds2

About 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene

18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene (PubChem CID 140529722) has the molecular formula C32H20 and a molecular weight of 404.51 g/mol. Its IUPAC name is 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene.

Molecular Properties

Compound Name18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
PubChem CID140529722
Molecular FormulaC32H20
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
SMILESc1ccc(-c2cc3cccc4c3c(c2-c2ccccc2)-c2c-4ccc3ccccc23)cc1
InChIInChI=1S/C32H20/c1-3-10-21(11-4-1)28-20-24-15-9-17-26-27-19-18-22-12-7-8-16-25(22)31(27)32(30(24)26)29(28)23-13-5-2-6-14-23/h1-20H
InChIKeyAKJYCUBHAHKANS-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 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene with MolForge

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Related Compounds

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CID 11208267
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CID 159461804
17-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762703
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
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
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105

Frequently Asked Questions

What is the IUPAC name of 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?
The IUPAC name of 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene (CID 140529722) is 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene.
What is the SMILES notation for 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?
The canonical SMILES for 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene is c1ccc(-c2cc3cccc4c3c(c2-c2ccccc2)-c2c-4ccc3ccccc23)cc1.
What is the InChIKey of 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?
The InChIKey is AKJYCUBHAHKANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20/c1-3-10-21(11-4-1)28-20-24-15-9-17-26-27-19-18-22-12-7-8-16-25(22)31(27)32(30(24)26)29(28)23-13-5-2-6-14-23/h1-20H.
What are the key properties of 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?
18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-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 18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene is sourced from PubChem (CID 140529722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).