6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene

C53H74 — CID 58569891

IUPAC6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene
SMILESCC1(C)c2ccccc2-c2ccc(C3CCC4CC(C5CCC6CC(C7CC8C9CCCCC9CCC8C8CCCCC78)CCC6C5)CCC4C3)cc21
InChIInChI=1S/C53H74/c1-53(2)51-14-8-7-13-47(51)48-26-24-41(31-52(48)53)39-19-17-35-27-34(15-16-37(35)29-39)36-18-20-40-30-42(22-21-38(40)28-36)49-32-50-43-10-4-3-9-33(43)23-25-46(50)44-11-5-6-12-45(44)49/h7-8,13-14,24,26,31,33-40,42-46,49-50H,3-6,9-12,15-23,25,27-30,32H2,1-2H3
InChIKeyKZNZJLQFLZGOJS-UHFFFAOYSA-N
MW711.18 g/mol
LogP14.78
Rot. Bonds3

About 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene

6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene (PubChem CID 58569891) has the molecular formula C53H74 and a molecular weight of 711.18 g/mol. Its IUPAC name is 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene.

Molecular Properties

Compound Name6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene
PubChem CID58569891
Molecular FormulaC53H74
Molecular Weight711.18 g/mol
Exact Mass710.58
IUPAC Name6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene
SMILESCC1(C)c2ccccc2-c2ccc(C3CCC4CC(C5CCC6CC(C7CC8C9CCCCC9CCC8C8CCCCC78)CCC6C5)CCC4C3)cc21
InChIInChI=1S/C53H74/c1-53(2)51-14-8-7-13-47(51)48-26-24-41(31-52(48)53)39-19-17-35-27-34(15-16-37(35)29-39)36-18-20-40-30-42(22-21-38(40)28-36)49-32-50-43-10-4-3-9-33(43)23-25-46(50)44-11-5-6-12-45(44)49/h7-8,13-14,24,26,31,33-40,42-46,49-50H,3-6,9-12,15-23,25,27-30,32H2,1-2H3
InChIKeyKZNZJLQFLZGOJS-UHFFFAOYSA-N
XLogP14.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.18
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene with MolForge

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Related Compounds

9,9-dimethyl-2-(4-methylcyclohexyl)fluorene
CID 157150008
2-[(1S,4Z)-6-iodo-3-methylcyclodec-4-en-1-yl]-9,9-dimethylfluorene
CID 89170512
3-(9,9-dimethylfluoren-2-yl)azetidine
CID 154791424
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane
CID 59861546
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
N-[2-(4-cyclopentylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124729
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120

Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene?
The IUPAC name of 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene (CID 58569891) is 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene.
What is the SMILES notation for 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene?
The canonical SMILES for 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene is CC1(C)c2ccccc2-c2ccc(C3CCC4CC(C5CCC6CC(C7CC8C9CCCCC9CCC8C8CCCCC78)CCC6C5)CCC4C3)cc21.
What is the InChIKey of 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene?
The InChIKey is KZNZJLQFLZGOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H74/c1-53(2)51-14-8-7-13-47(51)48-26-24-41(31-52(48)53)39-19-17-35-27-34(15-16-37(35)29-39)36-18-20-40-30-42(22-21-38(40)28-36)49-32-50-43-10-4-3-9-33(43)23-25-46(50)44-11-5-6-12-45(44)49/h7-8,13-14,24,26,31,33-40,42-46,49-50H,3-6,9-12,15-23,25,27-30,32H2,1-2H3.
What are the key properties of 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene?
6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene has a molecular weight of 711.18 g/mol, XLogP of 14.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-(9,9-dimethylfluoren-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene is sourced from PubChem (CID 58569891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).