17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene

C38H32 — CID 123536442

IUPAC17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene
SMILESC1=CCCC(C2=c3ccccc3=C(C3=CC=CCC3)C3C=c4c(c5c(c6ccccc46)CCC=C5)=CC23)=C1
InChIInChI=1S/C38H32/c1-3-13-25(14-4-1)37-31-21-11-12-22-32(31)38(26-15-5-2-6-16-26)36-24-34-30-20-10-8-18-28(30)27-17-7-9-19-29(27)33(34)23-35(36)37/h1-3,5,7,9-13,15,17,19-24,35-36H,4,6,8,14,16,18H2
InChIKeyBKNJJXCMRJDEJD-UHFFFAOYSA-N
MW488.67 g/mol
LogP6.17
Rot. Bonds2

About 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene

17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene (PubChem CID 123536442) has the molecular formula C38H32 and a molecular weight of 488.67 g/mol. Its IUPAC name is 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene
PubChem CID123536442
Molecular FormulaC38H32
Molecular Weight488.67 g/mol
Exact Mass488.25
IUPAC Name17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene
SMILESC1=CCCC(C2=c3ccccc3=C(C3=CC=CCC3)C3C=c4c(c5c(c6ccccc46)CCC=C5)=CC23)=C1
InChIInChI=1S/C38H32/c1-3-13-25(14-4-1)37-31-21-11-12-22-32(31)38(26-15-5-2-6-16-26)36-24-34-30-20-10-8-18-28(30)27-17-7-9-19-29(27)33(34)23-35(36)37/h1-3,5,7,9-13,15,17,19-24,35-36H,4,6,8,14,16,18H2
InChIKeyBKNJJXCMRJDEJD-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene with MolForge

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Related Compounds

7,12-di(cyclohexa-1,3-dien-1-yl)-3,4,6a,12a-tetrahydrobenzo[a]anthracene
CID 123230629
9,10-dimethyl-3,4-dihydrophenanthrene
CID 142416253
6-bromo-1,2-dihydrotriphenylene
CID 144751099
6-methyl-1,2-dihydrotriphenylene
CID 123255484
4-[10-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-ol
CID 163875328
9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene
CID 90929043
9,10-di(propan-2-yl)-3,4-dihydrophenanthrene
CID 155644326
6-cyclohexa-1,3-dien-1-yl-2-[2-[2-(9,10-dihydrotriphenylen-2-yl)phenyl]phenyl]-4-methyl-4-phenyl-5H-pyrimidine
CID 170381923
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
9,10-dichloro-1,2-dihydroanthracene
CID 154158053
9,10-dimethyl-1,2-dihydroanthracene
CID 71409601
12-N-cyclohexa-1,3-dien-1-yl-6-N,6-N,12-N-triphenyl-3,4-dihydrochrysene-6,12-diamine
CID 89065106

Frequently Asked Questions

What is the IUPAC name of 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene?
The IUPAC name of 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene (CID 123536442) is 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene.
What is the SMILES notation for 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene?
The canonical SMILES for 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene is C1=CCCC(C2=c3ccccc3=C(C3=CC=CCC3)C3C=c4c(c5c(c6ccccc46)CCC=C5)=CC23)=C1.
What is the InChIKey of 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene?
The InChIKey is BKNJJXCMRJDEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32/c1-3-13-25(14-4-1)37-31-21-11-12-22-32(31)38(26-15-5-2-6-16-26)36-24-34-30-20-10-8-18-28(30)27-17-7-9-19-29(27)33(34)23-35(36)37/h1-3,5,7,9-13,15,17,19-24,35-36H,4,6,8,14,16,18H2.
What are the key properties of 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene?
17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene has a molecular weight of 488.67 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17,24-di(cyclohexa-1,3-dien-1-yl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8(13),11,14,17,19,21,23-undecaene is sourced from PubChem (CID 123536442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).