7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene

C30H25Cl — CID 171439038

IUPAC7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc4c3C(C)(C)c3cc(Cl)ccc3-4)c21
InChIInChI=1S/C30H25Cl/c1-29(2)25-14-6-5-9-19(25)21-10-7-12-23(27(21)29)24-13-8-11-22-20-16-15-18(31)17-26(20)30(3,4)28(22)24/h5-17H,1-4H3
InChIKeyRTTKJJCQBJIHSV-UHFFFAOYSA-N
MW420.98 g/mol
LogP8.62
Rot. Bonds1

About 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene

7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene (PubChem CID 171439038) has the molecular formula C30H25Cl and a molecular weight of 420.98 g/mol. Its IUPAC name is 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
PubChem CID171439038
Molecular FormulaC30H25Cl
Molecular Weight420.98 g/mol
Exact Mass420.16
IUPAC Name7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc4c3C(C)(C)c3cc(Cl)ccc3-4)c21
InChIInChI=1S/C30H25Cl/c1-29(2)25-14-6-5-9-19(25)21-10-7-12-23(27(21)29)24-13-8-11-22-20-16-15-18(31)17-26(20)30(3,4)28(22)24/h5-17H,1-4H3
InChIKeyRTTKJJCQBJIHSV-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.98
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-chloro-1-iodo-9,9-dimethylfluorene
CID 139958810
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine
CID 165158530
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
5-chloro-2-(9,9-dimethylfluoren-1-yl)benzaldehyde;5-chloro-2-(9,9-dimethylfluoren-1-yl)benzoic acid
CID 159288888
CID 102192841
CID 102192841
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
4-chloro-1,8-bis(9,9-dimethylfluoren-1-yl)pyrene
CID 162349670
4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584779
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine
CID 175695461
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene?
The IUPAC name of 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene (CID 171439038) is 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene.
What is the SMILES notation for 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene?
The canonical SMILES for 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2cccc(-c3cccc4c3C(C)(C)c3cc(Cl)ccc3-4)c21.
What is the InChIKey of 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene?
The InChIKey is RTTKJJCQBJIHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl/c1-29(2)25-14-6-5-9-19(25)21-10-7-12-23(27(21)29)24-13-8-11-22-20-16-15-18(31)17-26(20)30(3,4)28(22)24/h5-17H,1-4H3.
What are the key properties of 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene?
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene has a molecular weight of 420.98 g/mol, XLogP of 8.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene is sourced from PubChem (CID 171439038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).