6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole

C54H70N2 — CID 134390709

IUPAC6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole
SMILESC1=CCC(C2=CCCC(N3C4C=CCCC4C4CCC(C5=CC6=C(CC5)N(C5CC(C7CC=CCC7)=CC(C7C=CCCC7)C5)C5CCC=CC65)CC43)C2)C=C1
InChIInChI=1S/C54H70N2/c1-4-15-37(16-5-1)40-21-14-22-45(32-40)55-51-25-12-10-23-47(51)49-29-27-42(36-54(49)55)41-28-30-53-50(35-41)48-24-11-13-26-52(48)56(53)46-33-43(38-17-6-2-7-18-38)31-44(34-46)39-19-8-3-9-20-39/h1-2,4-6,8,11-12,15,19,21,24-25,31,35,37-39,42,44-49,51-52,54H,3,7,9-10,13-14,16-18,20,22-23,26-30,32-34,36H2
InChIKeyUYOWMCUFXDICLB-UHFFFAOYSA-N
MW747.17 g/mol
LogP13.08
Rot. Bonds6

About 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole

6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole (PubChem CID 134390709) has the molecular formula C54H70N2 and a molecular weight of 747.17 g/mol. Its IUPAC name is 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole.

Molecular Properties

Compound Name6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole
PubChem CID134390709
Molecular FormulaC54H70N2
Molecular Weight747.17 g/mol
Exact Mass746.55
IUPAC Name6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole
SMILESC1=CCC(C2=CCCC(N3C4C=CCCC4C4CCC(C5=CC6=C(CC5)N(C5CC(C7CC=CCC7)=CC(C7C=CCCC7)C5)C5CCC=CC65)CC43)C2)C=C1
InChIInChI=1S/C54H70N2/c1-4-15-37(16-5-1)40-21-14-22-45(32-40)55-51-25-12-10-23-47(51)49-29-27-42(36-54(49)55)41-28-30-53-50(35-41)48-24-11-13-26-52(48)56(53)46-33-43(38-17-6-2-7-18-38)31-44(34-46)39-19-8-3-9-20-39/h1-2,4-6,8,11-12,15,19,21,24-25,31,35,37-39,42,44-49,51-52,54H,3,7,9-10,13-14,16-18,20,22-23,26-30,32-34,36H2
InChIKeyUYOWMCUFXDICLB-UHFFFAOYSA-N
XLogP13.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.17
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole with MolForge

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Launch Full Analysis

Related Compounds

4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine
CID 166715381
3-cyclohexa-1,3-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-6-(9-cyclohex-2-en-1-yl-1,2,4b,7,8,8a-hexahydrocarbazol-3-yl)-1,2,3,4-tetrahydrocarbazole
CID 138625862
7-[9-[3-(cyclohexen-1-yl)-5-cyclohex-3-en-1-ylcyclohexen-1-yl]-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-2-yl]-9-cyclohexyl-1,2,4a,7,8,9a-hexahydrocarbazole
CID 134390437
4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine
CID 155373629
3-[9-[4-(cyclohexen-1-yl)cyclohex-2-en-1-yl]-1,2,4a,4b,5,6,8a,9a-octahydrocarbazol-1-yl]-9-[3-cyclohex-3-en-1-yl-5-(5-methylcyclohex-3-en-1-yl)cyclohexyl]-1,2,4a,4b,8a,9a-hexahydrocarbazole
CID 134390368
6-[9-[(1S)-3-cyclohexa-2,4-dien-1-yl-6-(cyclohexen-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,9a-octahydrocarbazol-3-yl]-9-cyclohex-3-en-1-yl-2,3-dihydrocarbazole
CID 170144861
9-(5-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)-3-[4-[9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazol-3-yl]cyclohexen-1-yl]-2,3,4b,8a-tetrahydrocarbazole
CID 138625926
6-(3,4,5a,9a-tetrahydrodibenzofuran-4-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)-1,2,4a,4b,8a,9a-hexahydrocarbazole
CID 134390460
9-(1-cyclohex-3-en-1-yl-1,5a,6,7,9a,9b-hexahydrodibenzothiophen-4-yl)-6-(9-cyclohexyl-3,4,4a,4b,7,8,8a,9a-octahydrocarbazol-4-yl)-1,2,4a,7,8,9a-hexahydrocarbazole
CID 146490440
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
9-[3-carbazol-9-yl-5-[2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(cyclohexen-1-yl)-1,2,3,4,4b,7,8,8a-octahydrocarbazol-9-yl]cyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydropyrimidin-6-yl]phenyl]carbazole
CID 163561559
(4R)-4-[4-[6-(9,9a-dihydro-4aH-acridin-10-yl)cyclohex-2-en-1-yl]cyclohexa-1,3-dien-1-yl]-1-methyl-3,4-dihydro-2H-pyridine-6-carbonitrile
CID 146538745

Frequently Asked Questions

What is the IUPAC name of 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole?
The IUPAC name of 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole (CID 134390709) is 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole.
What is the SMILES notation for 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole?
The canonical SMILES for 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole is C1=CCC(C2=CCCC(N3C4C=CCCC4C4CCC(C5=CC6=C(CC5)N(C5CC(C7CC=CCC7)=CC(C7C=CCCC7)C5)C5CCC=CC65)CC43)C2)C=C1.
What is the InChIKey of 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole?
The InChIKey is UYOWMCUFXDICLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H70N2/c1-4-15-37(16-5-1)40-21-14-22-45(32-40)55-51-25-12-10-23-47(51)49-29-27-42(36-54(49)55)41-28-30-53-50(35-41)48-24-11-13-26-52(48)56(53)46-33-43(38-17-6-2-7-18-38)31-44(34-46)39-19-8-3-9-20-39/h1-2,4-6,8,11-12,15,19,21,24-25,31,35,37-39,42,44-49,51-52,54H,3,7,9-10,13-14,16-18,20,22-23,26-30,32-34,36H2.
What are the key properties of 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole?
6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole has a molecular weight of 747.17 g/mol, XLogP of 13.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole is sourced from PubChem (CID 134390709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).