6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene

C72H78 — CID 163623373

IUPAC6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene
SMILESCC1=CCC(C(C2=CCCC=C2)C2=CC3C(C4C=C5C(=CC4)C4CC=CC=C4C5(C)C)=C4CCC(C(C5=CCC(C)CC5)c5ccccc5)CC4=C(C4=CC=C5c6ccccc6C(C)(C)C5C4)C3C=C2)C=C1
InChIInChI=1S/C72H78/c1-45-25-29-49(30-26-45)67(47-17-9-7-10-18-47)51-35-39-59-61(41-51)69(53-33-37-57-55-21-13-15-23-63(55)71(3,4)65(57)43-53)60-40-36-52(68(48-19-11-8-12-20-48)50-31-27-46(2)28-32-50)42-62(60)70(59)54-34-38-58-56-22-14-16-24-64(56)72(5,6)66(58)44-54/h7,9-11,13-21,23-24,27-29,31,33,36-38,40,42,44-45,50-51,54,56,60,62,65,67-68H,8,12,22,25-26,30,32,34-35,39,41,43H2,1-6H3
InChIKeyHQAZSJSZNLIKTO-UHFFFAOYSA-N
MW943.42 g/mol
LogP18.80
Rot. Bonds8

About 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene

6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene (PubChem CID 163623373) has the molecular formula C72H78 and a molecular weight of 943.42 g/mol. Its IUPAC name is 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene.

Molecular Properties

Compound Name6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene
PubChem CID163623373
Molecular FormulaC72H78
Molecular Weight943.42 g/mol
Exact Mass942.61
IUPAC Name6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene
SMILESCC1=CCC(C(C2=CCCC=C2)C2=CC3C(C4C=C5C(=CC4)C4CC=CC=C4C5(C)C)=C4CCC(C(C5=CCC(C)CC5)c5ccccc5)CC4=C(C4=CC=C5c6ccccc6C(C)(C)C5C4)C3C=C2)C=C1
InChIInChI=1S/C72H78/c1-45-25-29-49(30-26-45)67(47-17-9-7-10-18-47)51-35-39-59-61(41-51)69(53-33-37-57-55-21-13-15-23-63(55)71(3,4)65(57)43-53)60-40-36-52(68(48-19-11-8-12-20-48)50-31-27-46(2)28-32-50)42-62(60)70(59)54-34-38-58-56-22-14-16-24-64(56)72(5,6)66(58)44-54/h7,9-11,13-21,23-24,27-29,31,33,36-38,40,42,44-45,50-51,54,56,60,62,65,67-68H,8,12,22,25-26,30,32,34-35,39,41,43H2,1-6H3
InChIKeyHQAZSJSZNLIKTO-UHFFFAOYSA-N
XLogP18.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.42
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene?
The IUPAC name of 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene (CID 163623373) is 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene.
What is the SMILES notation for 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene?
The canonical SMILES for 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene is CC1=CCC(C(C2=CCCC=C2)C2=CC3C(C4C=C5C(=CC4)C4CC=CC=C4C5(C)C)=C4CCC(C(C5=CCC(C)CC5)c5ccccc5)CC4=C(C4=CC=C5c6ccccc6C(C)(C)C5C4)C3C=C2)C=C1.
What is the InChIKey of 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene?
The InChIKey is HQAZSJSZNLIKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H78/c1-45-25-29-49(30-26-45)67(47-17-9-7-10-18-47)51-35-39-59-61(41-51)69(53-33-37-57-55-21-13-15-23-63(55)71(3,4)65(57)43-53)60-40-36-52(68(48-19-11-8-12-20-48)50-31-27-46(2)28-32-50)42-62(60)70(59)54-34-38-58-56-22-14-16-24-64(56)72(5,6)66(58)44-54/h7,9-11,13-21,23-24,27-29,31,33,36-38,40,42,44-45,50-51,54,56,60,62,65,67-68H,8,12,22,25-26,30,32,34-35,39,41,43H2,1-6H3.
What are the key properties of 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene?
6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene has a molecular weight of 943.42 g/mol, XLogP of 18.80, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexa-1,5-dien-1-yl-(4-methylcyclohexa-2,4-dien-1-yl)methyl]-9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-2-[(4-methylcyclohexen-1-yl)-phenylmethyl]-1,2,3,4,8a,10a-hexahydroanthracene is sourced from PubChem (CID 163623373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).