3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene

C29H31Cl — CID 167268379

IUPAC3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)-c1cc(-c2cccc(Cl)c2)ccc1C3(C)C
InChIInChI=1S/C29H31Cl/c1-27(2)12-13-28(3,4)26-17-24-22(16-25(26)27)21-15-19(10-11-23(21)29(24,5)6)18-8-7-9-20(30)14-18/h7-11,14-17H,12-13H2,1-6H3
InChIKeyLJPYYLQWRMSFQF-UHFFFAOYSA-N
MW415.02 g/mol
LogP8.66
Rot. Bonds1

About 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene

3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene (PubChem CID 167268379) has the molecular formula C29H31Cl and a molecular weight of 415.02 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
PubChem CID167268379
Molecular FormulaC29H31Cl
Molecular Weight415.02 g/mol
Exact Mass414.21
IUPAC Name3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)-c1cc(-c2cccc(Cl)c2)ccc1C3(C)C
InChIInChI=1S/C29H31Cl/c1-27(2)12-13-28(3,4)26-17-24-22(16-25(26)27)21-15-19(10-11-23(21)29(24,5)6)18-8-7-9-20(30)14-18/h7-11,14-17H,12-13H2,1-6H3
InChIKeyLJPYYLQWRMSFQF-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.02
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
CID 169030071
N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169029851
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene
CID 159255668
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole
CID 141028677
4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine
CID 176758761
1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane
CID 142567911
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene
CID 171740128
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 167260671
2-[4-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166903120

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene?
The IUPAC name of 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene (CID 167268379) is 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene.
What is the SMILES notation for 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene?
The canonical SMILES for 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene is CC1(C)CCC(C)(C)c2cc3c(cc21)-c1cc(-c2cccc(Cl)c2)ccc1C3(C)C.
What is the InChIKey of 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene?
The InChIKey is LJPYYLQWRMSFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl/c1-27(2)12-13-28(3,4)26-17-24-22(16-25(26)27)21-15-19(10-11-23(21)29(24,5)6)18-8-7-9-20(30)14-18/h7-11,14-17H,12-13H2,1-6H3.
What are the key properties of 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene?
3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene has a molecular weight of 415.02 g/mol, XLogP of 8.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene is sourced from PubChem (CID 167268379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).