(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

C44H42 — CID 140729256

IUPAC(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
SMILESC1=CC2C=CC=C(/C3=C\C=C/C=C\C=C(C4=C\C=C/C=C\C=C(C5=C\C=C/C=C\C=C\CC/5)\CC/4)\C4C=CC=CC34)C2C=C1
InChIInChI=1S/C44H42/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/h1-10,12-21,23-32,37,39,41,44H,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+
InChIKeyXHVWZYDLJCVPAK-QECLGFBBSA-N
MW570.82 g/mol
LogP11.33
Rot. Bonds3

About (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

(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 (PubChem CID 140729256) has the molecular formula C44H42 and a molecular weight of 570.82 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID140729256
Molecular FormulaC44H42
Molecular Weight570.82 g/mol
Exact Mass570.33
IUPAC Name(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
SMILESC1=CC2C=CC=C(/C3=C\C=C/C=C\C=C(C4=C\C=C/C=C\C=C(C5=C\C=C/C=C\C=C\CC/5)\CC/4)\C4C=CC=CC34)C2C=C1
InChIInChI=1S/C44H42/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/h1-10,12-21,23-32,37,39,41,44H,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+
InChIKeyXHVWZYDLJCVPAK-QECLGFBBSA-N
XLogP11.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.82
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (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 with MolForge

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Related Compounds

(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
9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-4a,9a-dihydroanthracene
CID 123735519
2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine
CID 135218026
9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-(4b,8a-dihydrophenanthren-9-yl)-4a,9a-dihydroanthracene
CID 123648265
(2-cyclohexa-1,3-dien-1-ylcyclohexa-2,5-dien-1-yl)cyclooctane
CID 173102404
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
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
9-cyclohexa-1,3-dien-1-yl-10-(2-phenylcyclodeca-3,5,7-trien-1-yl)-4a,9a-dihydroanthracene
CID 90929043
2-(4a,8a-dihydronaphthalen-1-yl)-9,9-dimethyl-1,9a-dihydrofluorene
CID 123963196
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902
5-cyclopenta-2,4-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 15153107
9-(4a,8a-dihydronaphthalen-1-yl)-10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracene
CID 123320771

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C1=CC2C=CC=C(/C3=C\C=C/C=C\C=C(C4=C\C=C/C=C\C=C(C5=C\C=C/C=C\C=C\CC/5)\CC/4)\C4C=CC=CC34)C2C=C1.
What is the InChIKey of (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?
The InChIKey is XHVWZYDLJCVPAK-QECLGFBBSA-N. The full InChI is InChI=1S/C44H42/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/h1-10,12-21,23-32,37,39,41,44H,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)-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?
(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 has a molecular weight of 570.82 g/mol, XLogP of 11.33, 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)-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 is sourced from PubChem (CID 140729256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).