3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene

C38H22 — CID 13263090

IUPAC3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene
SMILESc1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6cccc7cccc(c23)c76)c54)cc1
InChIInChI=1S/C38H22/c1-3-11-25(12-4-1)33-35-27-19-7-15-23-17-9-21-29(31(23)27)37(35)34(26-13-5-2-6-14-26)38-30-22-10-18-24-16-8-20-28(32(24)30)36(33)38/h1-22H
InChIKeyPJRFQXFIHQAWOH-UHFFFAOYSA-N
MW478.59 g/mol
LogP10.82
Rot. Bonds2

About 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene

3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene (PubChem CID 13263090) has the molecular formula C38H22 and a molecular weight of 478.59 g/mol. Its IUPAC name is 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene.

Molecular Properties

Compound Name3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene
PubChem CID13263090
Molecular FormulaC38H22
Molecular Weight478.59 g/mol
Exact Mass478.17
IUPAC Name3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene
SMILESc1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6cccc7cccc(c23)c76)c54)cc1
InChIInChI=1S/C38H22/c1-3-11-25(12-4-1)33-35-27-19-7-15-23-17-9-21-29(31(23)27)37(35)34(26-13-5-2-6-14-26)38-30-22-10-18-24-16-8-20-28(32(24)30)36(33)38/h1-22H
InChIKeyPJRFQXFIHQAWOH-UHFFFAOYSA-N
XLogP10.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene?
The IUPAC name of 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene (CID 13263090) is 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene.
What is the SMILES notation for 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene?
The canonical SMILES for 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene is c1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6cccc7cccc(c23)c76)c54)cc1.
What is the InChIKey of 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene?
The InChIKey is PJRFQXFIHQAWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22/c1-3-11-25(12-4-1)33-35-27-19-7-15-23-17-9-21-29(31(23)27)37(35)34(26-13-5-2-6-14-26)38-30-22-10-18-24-16-8-20-28(32(24)30)36(33)38/h1-22H.
What are the key properties of 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene?
3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene has a molecular weight of 478.59 g/mol, XLogP of 10.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene is sourced from PubChem (CID 13263090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).