13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene

C50H32 — CID 10919273

IUPAC13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c4cc5cccccc-5c4c4c5cccccc-5cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C50H32/c1-7-19-33(20-8-1)43-44(34-21-9-2-10-22-34)46(36-25-13-4-14-26-36)50-42-32-38-28-16-6-18-30-40(38)48(42)47-39-29-17-5-15-27-37(39)31-41(47)49(50)45(43)35-23-11-3-12-24-35/h1-32H
InChIKeyCVABKIBYDRKSHW-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.02
Rot. Bonds4

About 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene

13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene (PubChem CID 10919273) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene.

Molecular Properties

Compound Name13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene
PubChem CID10919273
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c4cc5cccccc-5c4c4c5cccccc-5cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C50H32/c1-7-19-33(20-8-1)43-44(34-21-9-2-10-22-34)46(36-25-13-4-14-26-36)50-42-32-38-28-16-6-18-30-40(38)48(42)47-39-29-17-5-15-27-37(39)31-41(47)49(50)45(43)35-23-11-3-12-24-35/h1-32H
InChIKeyCVABKIBYDRKSHW-UHFFFAOYSA-N
XLogP14.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene?
The IUPAC name of 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene (CID 10919273) is 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene.
What is the SMILES notation for 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene?
The canonical SMILES for 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c4cc5cccccc-5c4c4c5cccccc-5cc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene?
The InChIKey is CVABKIBYDRKSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-7-19-33(20-8-1)43-44(34-21-9-2-10-22-34)46(36-25-13-4-14-26-36)50-42-32-38-28-16-6-18-30-40(38)48(42)47-39-29-17-5-15-27-37(39)31-41(47)49(50)45(43)35-23-11-3-12-24-35/h1-32H.
What are the key properties of 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene?
13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene has a molecular weight of 632.81 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,14,15,16-tetraphenylhexacyclo[16.8.0.02,11.03,9.012,17.020,26]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene is sourced from PubChem (CID 10919273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).