2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene

C36H24Cl2F4 — CID 58743141

IUPAC2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2cc(Cl)ccc2-c2ccc(-c3c(F)c(F)c(-c4ccc5c(c4)C(C)(C)c4cc(Cl)ccc4-5)c(F)c3F)cc21
InChIInChI=1S/C36H24Cl2F4/c1-35(2)25-13-17(5-9-21(25)23-11-7-19(37)15-27(23)35)29-31(39)33(41)30(34(42)32(29)40)18-6-10-22-24-12-8-20(38)16-28(24)36(3,4)26(22)14-18/h5-16H,1-4H3
InChIKeyPSNRDSMJKDONEF-UHFFFAOYSA-N
MW603.49 g/mol
LogP11.50
Rot. Bonds2

About 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene

2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene (PubChem CID 58743141) has the molecular formula C36H24Cl2F4 and a molecular weight of 603.49 g/mol. Its IUPAC name is 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene
PubChem CID58743141
Molecular FormulaC36H24Cl2F4
Molecular Weight603.49 g/mol
Exact Mass602.12
IUPAC Name2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2cc(Cl)ccc2-c2ccc(-c3c(F)c(F)c(-c4ccc5c(c4)C(C)(C)c4cc(Cl)ccc4-5)c(F)c3F)cc21
InChIInChI=1S/C36H24Cl2F4/c1-35(2)25-13-17(5-9-21(25)23-11-7-19(37)15-27(23)35)29-31(39)33(41)30(34(42)32(29)40)18-6-10-22-24-12-8-20(38)16-28(24)36(3,4)26(22)14-18/h5-16H,1-4H3
InChIKeyPSNRDSMJKDONEF-UHFFFAOYSA-N
XLogP11.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.49
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene?
The IUPAC name of 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene (CID 58743141) is 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene?
The canonical SMILES for 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene is CC1(C)c2cc(Cl)ccc2-c2ccc(-c3c(F)c(F)c(-c4ccc5c(c4)C(C)(C)c4cc(Cl)ccc4-5)c(F)c3F)cc21.
What is the InChIKey of 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene?
The InChIKey is PSNRDSMJKDONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24Cl2F4/c1-35(2)25-13-17(5-9-21(25)23-11-7-19(37)15-27(23)35)29-31(39)33(41)30(34(42)32(29)40)18-6-10-22-24-12-8-20(38)16-28(24)36(3,4)26(22)14-18/h5-16H,1-4H3.
What are the key properties of 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene?
2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene has a molecular weight of 603.49 g/mol, XLogP of 11.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[4-(7-chloro-9,9-dimethylfluoren-2-yl)-2,3,5,6-tetrafluorophenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 58743141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).