(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone

C67H69NO — CID 123401574

IUPAC(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone
SMILESO=C(C1=CC(C2C=CC=C(C3=C(C4C=CC=CC4)C=C(C4=CC=CC(N(C5=CCCC=C5)C5=CC=CCC5)C4)CC3C3=CCCC=C3)C2)CC=C1)C1=CC(C2=CCCC=C2)C=C(C2=CC=CCC2)C1
InChIInChI=1S/C67H69NO/c69-67(60-43-57(48-22-7-1-8-23-48)42-58(44-60)49-24-9-2-10-25-49)56-34-20-31-53(41-56)52-30-19-33-55(40-52)66-64(50-26-11-3-12-27-50)46-59(47-65(66)51-28-13-4-14-29-51)54-32-21-39-63(45-54)68(61-35-15-5-16-36-61)62-37-17-6-18-38-62/h1,3,5,7,9,11-13,15,17,19-22,24-26,28-30,32-35,37-39,41-42,44,46,50,52-53,58,63,65H,2,4,6,8,10,14,16,18,23,27,31,36,40,43,45,47H2
InChIKeyOJRXMGHQUGXMNQ-UHFFFAOYSA-N
MW904.29 g/mol
LogP16.66
Rot. Bonds12

About (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone

(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone (PubChem CID 123401574) has the molecular formula C67H69NO and a molecular weight of 904.29 g/mol. Its IUPAC name is (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone
PubChem CID123401574
Molecular FormulaC67H69NO
Molecular Weight904.29 g/mol
Exact Mass903.54
IUPAC Name(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone
SMILESO=C(C1=CC(C2C=CC=C(C3=C(C4C=CC=CC4)C=C(C4=CC=CC(N(C5=CCCC=C5)C5=CC=CCC5)C4)CC3C3=CCCC=C3)C2)CC=C1)C1=CC(C2=CCCC=C2)C=C(C2=CC=CCC2)C1
InChIInChI=1S/C67H69NO/c69-67(60-43-57(48-22-7-1-8-23-48)42-58(44-60)49-24-9-2-10-25-49)56-34-20-31-53(41-56)52-30-19-33-55(40-52)66-64(50-26-11-3-12-27-50)46-59(47-65(66)51-28-13-4-14-29-51)54-32-21-39-63(45-54)68(61-35-15-5-16-36-61)62-37-17-6-18-38-62/h1,3,5,7,9,11-13,15,17,19-22,24-26,28-30,32-35,37-39,41-42,44,46,50,52-53,58,63,65H,2,4,6,8,10,14,16,18,23,27,31,36,40,43,45,47H2
InChIKeyOJRXMGHQUGXMNQ-UHFFFAOYSA-N
XLogP16.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.29
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-[4-[3-[4-[[(3E,4Z)-4-butylidene-1-(4-fluorocyclohexa-1,3-dien-1-yl)-3-propylidenepiperidin-2-yl]methyl]cyclohexa-2,4-dien-1-yl]propyl]cyclohexyl]-4,4-dimethylpent-2-en-1-one
CID 142017497
3-Azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-1(21),5,7,13(22),19-pentaen-15-one
CID 70633100
2-[1-Cyclohexa-1,3-dien-1-yl-3-[di(propan-2-yl)amino]propyl]-4-methylcyclohex-2-en-1-one
CID 90886620
[4-[3-[4-(Cyclohexa-1,3-diene-1-carbonyl)cyclohexa-2,4-dien-1-yl]-5-[4-(cyclohexa-2,4-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylmethanone
CID 91559503
10'-Cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one
CID 121420343
1-[4-(6,7-Dimethylnona-6,8-dienyl)-3-[methyl(3-methylpenta-1,3-dien-2-yl)amino]cyclohexa-1,3-dien-1-yl]-2-methylhexan-1-one
CID 123532213
2,4b,9,11,13a,14,14a,14b-octahydro-1H-phenanthro[9,10-f]indolizin-3-one
CID 123845372
6-[1-[Cyclohexyl(methyl)amino]ethenyl]-5-ethenyl-3-methylidene-3a,4-dihydroinden-1-one
CID 130435851
(2E)-2-ethylidene-1-[(3S,5S)-4-[[(3E)-hepta-1,3-dien-4-yl]-propan-2-ylamino]-3,5-dimethylcyclohexen-1-yl]pentan-1-one
CID 163490391
7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one
CID 101173310
(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-1-methyl-6-(2-methylbutyl)piperidin-4-one
CID 144493603

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone?
The IUPAC name of (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone (CID 123401574) is (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone.
What is the SMILES notation for (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone?
The canonical SMILES for (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone is O=C(C1=CC(C2C=CC=C(C3=C(C4C=CC=CC4)C=C(C4=CC=CC(N(C5=CCCC=C5)C5=CC=CCC5)C4)CC3C3=CCCC=C3)C2)CC=C1)C1=CC(C2=CCCC=C2)C=C(C2=CC=CCC2)C1.
What is the InChIKey of (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone?
The InChIKey is OJRXMGHQUGXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H69NO/c69-67(60-43-57(48-22-7-1-8-23-48)42-58(44-60)49-24-9-2-10-25-49)56-34-20-31-53(41-56)52-30-19-33-55(40-52)66-64(50-26-11-3-12-27-50)46-59(47-65(66)51-28-13-4-14-29-51)54-32-21-39-63(45-54)68(61-35-15-5-16-36-61)62-37-17-6-18-38-62/h1,3,5,7,9,11-13,15,17,19-22,24-26,28-30,32-35,37-39,41-42,44,46,50,52-53,58,63,65H,2,4,6,8,10,14,16,18,23,27,31,36,40,43,45,47H2.
What are the key properties of (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone?
(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone has a molecular weight of 904.29 g/mol, XLogP of 16.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,4-dien-1-yl)-[3-[5-[6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-4-[5-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methanone is sourced from PubChem (CID 123401574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).