(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene

C44H40 — CID 140656633

IUPAC(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene
SMILESC1=CC2C(/C3=C\C=C/C=C\C=C(C4=C\C=C/C=C\C=C\CC/4)\CC3)=C/C=C\C=C/C=C(\c3cccc4ccccc34)C2C=C1
InChIInChI=1S/C44H40/c1-2-4-10-21-35(22-11-5-3-1)36-23-12-6-7-13-24-38(34-33-36)40-27-14-8-9-15-29-43(44-31-19-18-30-41(40)44)42-32-20-26-37-25-16-17-28-39(37)42/h1-10,12-21,23-32,41,44H,11,22,33-34H2/b2-1-,5-3+,10-4-,12-6-,13-7-,14-8-,15-9-,35-21-,36-23-,38-24-,40-27+,43-29+
InChIKeyGYPSEAICIAAEKA-QECLGFBBSA-N
MW568.80 g/mol
LogP11.78
Rot. Bonds3

About (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene

(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene (PubChem CID 140656633) has the molecular formula C44H40 and a molecular weight of 568.80 g/mol. Its IUPAC name is (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene.

Molecular Properties

Compound Name(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene
PubChem CID140656633
Molecular FormulaC44H40
Molecular Weight568.80 g/mol
Exact Mass568.31
IUPAC Name(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene
SMILESC1=CC2C(/C3=C\C=C/C=C\C=C(C4=C\C=C/C=C\C=C\CC/4)\CC3)=C/C=C\C=C/C=C(\c3cccc4ccccc34)C2C=C1
InChIInChI=1S/C44H40/c1-2-4-10-21-35(22-11-5-3-1)36-23-12-6-7-13-24-38(34-33-36)40-27-14-8-9-15-29-43(44-31-19-18-30-41(40)44)42-32-20-26-37-25-16-17-28-39(37)42/h1-10,12-21,23-32,41,44H,11,22,33-34H2/b2-1-,5-3+,10-4-,12-6-,13-7-,14-8-,15-9-,35-21-,36-23-,38-24-,40-27+,43-29+
InChIKeyGYPSEAICIAAEKA-QECLGFBBSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.80
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene with MolForge

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Related Compounds

(5Z,7Z,9Z,11Z)-5-(4a,8a-dihydronaphthalen-1-yl)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-4a,12a-dihydrobenzo[10]annulene
CID 140729256
N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
CID 155273837
1-cyclohexa-1,3-dien-1-yl-5H-benzo[b]phosphindole
CID 19043656
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-6-N-naphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89061041
4-(12-cyclohexa-1,3-dien-1-ylbenzo[10]annulen-5-yl)pyrene
CID 123727351
5-(2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-2,4-dien-1-yl)-11a,12-dihydro-7bH-indolo[3,2-c]carbazole
CID 167154675
ethane;(2-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)boronic acid
CID 143742417
2-[4-(4a,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176735087
2-cyclohexa-1,3-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 167182994
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane
CID 159282486
3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole
CID 88574118
11-[10-(4a,8a-dihydronaphthalen-1-yl)-6-(3,4,5,6,7,8-hexahydrobenzo[b][1]benzazepin-11-yl)-9-(2-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89111259

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene?
The IUPAC name of (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene (CID 140656633) is (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene.
What is the SMILES notation for (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene?
The canonical SMILES for (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene is C1=CC2C(/C3=C\C=C/C=C\C=C(C4=C\C=C/C=C\C=C\CC/4)\CC3)=C/C=C\C=C/C=C(\c3cccc4ccccc34)C2C=C1.
What is the InChIKey of (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene?
The InChIKey is GYPSEAICIAAEKA-QECLGFBBSA-N. The full InChI is InChI=1S/C44H40/c1-2-4-10-21-35(22-11-5-3-1)36-23-12-6-7-13-24-38(34-33-36)40-27-14-8-9-15-29-43(44-31-19-18-30-41(40)44)42-32-20-26-37-25-16-17-28-39(37)42/h1-10,12-21,23-32,41,44H,11,22,33-34H2/b2-1-,5-3+,10-4-,12-6-,13-7-,14-8-,15-9-,35-21-,36-23-,38-24-,40-27+,43-29+.
What are the key properties of (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene?
(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene has a molecular weight of 568.80 g/mol, XLogP of 11.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene is sourced from PubChem (CID 140656633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).