9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene

C31H22Cl2 — CID 101371835

IUPAC9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene
SMILESClc1ccc(C(c2ccc(Cl)cc2)(C2C=CC=C2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H22Cl2/c32-24-17-13-22(14-18-24)31(21-7-1-2-8-21,23-15-19-25(33)20-16-23)30-28-11-5-3-9-26(28)27-10-4-6-12-29(27)30/h1-21,30H
InChIKeyMTNOUHJLZUJGTL-UHFFFAOYSA-N
MW465.42 g/mol
LogP8.83
Rot. Bonds4

About 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene

9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene (PubChem CID 101371835) has the molecular formula C31H22Cl2 and a molecular weight of 465.42 g/mol. Its IUPAC name is 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene.

Molecular Properties

Compound Name9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene
PubChem CID101371835
Molecular FormulaC31H22Cl2
Molecular Weight465.42 g/mol
Exact Mass464.11
IUPAC Name9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene
SMILESClc1ccc(C(c2ccc(Cl)cc2)(C2C=CC=C2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H22Cl2/c32-24-17-13-22(14-18-24)31(21-7-1-2-8-21,23-15-19-25(33)20-16-23)30-28-11-5-3-9-26(28)27-10-4-6-12-29(27)30/h1-21,30H
InChIKeyMTNOUHJLZUJGTL-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672
9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene
CID 170895253
9-(2-cyclopenta-2,4-dien-1-ylpent-4-en-2-yl)-9H-fluorene
CID 11385650
trichloro-[5-cyclopenta-2,4-dien-1-yl-5-(9H-fluoren-9-yl)hexyl]silane
CID 154420962
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
9-[[3-(2-bicyclo[2.2.1]heptanyl)cyclopenta-2,4-dien-1-yl]-diphenylmethyl]-9H-fluorene
CID 101154376
9-(1-chloro-1-phenylethyl)-9H-fluorene
CID 18987529
9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride
CID 161408642
bis(4-chlorophenyl)-phenylmethanamine
CID 134589032
9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937017
9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene
CID 159062487
(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 44593833

Frequently Asked Questions

What is the IUPAC name of 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene?
The IUPAC name of 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene (CID 101371835) is 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene.
What is the SMILES notation for 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene?
The canonical SMILES for 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene is Clc1ccc(C(c2ccc(Cl)cc2)(C2C=CC=C2)C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene?
The InChIKey is MTNOUHJLZUJGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Cl2/c32-24-17-13-22(14-18-24)31(21-7-1-2-8-21,23-15-19-25(33)20-16-23)30-28-11-5-3-9-26(28)27-10-4-6-12-29(27)30/h1-21,30H.
What are the key properties of 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene?
9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene has a molecular weight of 465.42 g/mol, XLogP of 8.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene is sourced from PubChem (CID 101371835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).