(1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene

C32H20 — CID 134866409

IUPAC(1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
SMILESc1ccc2/c(c1)=c1/cc3ccccc3c/c1=c1\cccc\c1=c1/cc3ccccc3c/c1=2
InChIInChI=1S/C32H20/c1-2-10-22-18-30-27-15-7-8-16-28(27)32-20-24-12-4-3-11-23(24)19-31(32)26-14-6-5-13-25(26)29(30)17-21(22)9-1/h1-20H/b29-25-,30-27-,31-26-,32-28-
InChIKeyKYTWOIZMKAPXQP-CVAQOOQZSA-N
MW404.51 g/mol
LogP7.45
Rot. Bonds

About (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene

(1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene (PubChem CID 134866409) has the molecular formula C32H20 and a molecular weight of 404.51 g/mol. Its IUPAC name is (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene.

Molecular Properties

Compound Name(1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
PubChem CID134866409
Molecular FormulaC32H20
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name(1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
SMILESc1ccc2/c(c1)=c1/cc3ccccc3c/c1=c1\cccc\c1=c1/cc3ccccc3c/c1=2
InChIInChI=1S/C32H20/c1-2-10-22-18-30-27-15-7-8-16-28(27)32-20-24-12-4-3-11-23(24)19-31(32)26-14-6-5-13-25(26)29(30)17-21(22)9-1/h1-20H/b29-25-,30-27-,31-26-,32-28-
InChIKeyKYTWOIZMKAPXQP-CVAQOOQZSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The IUPAC name of (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene (CID 134866409) is (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene.
What is the SMILES notation for (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The canonical SMILES for (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene is c1ccc2/c(c1)=c1/cc3ccccc3c/c1=c1\cccc\c1=c1/cc3ccccc3c/c1=2.
What is the InChIKey of (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The InChIKey is KYTWOIZMKAPXQP-CVAQOOQZSA-N. The full InChI is InChI=1S/C32H20/c1-2-10-22-18-30-27-15-7-8-16-28(27)32-20-24-12-4-3-11-23(24)19-31(32)26-14-6-5-13-25(26)29(30)17-21(22)9-1/h1-20H/b29-25-,30-27-,31-26-,32-28-.
What are the key properties of (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
(1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene has a molecular weight of 404.51 g/mol, XLogP of 7.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7Z,17Z,23Z)-heptacyclo[22.8.0.02,7.08,17.010,15.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene is sourced from PubChem (CID 134866409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).