3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene

C35H36Cl2 — CID 67048776

IUPAC3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene
SMILESCc1cc(Cl)ccc1-c1cc2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(-c3ccc(Cl)cc3C)cc1C2
InChIInChI=1S/C35H36Cl2/c1-20-13-24(36)9-11-26(20)30-16-22-15-23-17-31(27-12-10-25(37)14-21(27)2)33(35(6,7)8)19-29(23)28(22)18-32(30)34(3,4)5/h9-14,16-19H,15H2,1-8H3
InChIKeyFPDIVFWMRXMXHD-UHFFFAOYSA-N
MW527.58 g/mol
LogP11.11
Rot. Bonds2

About 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene

3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene (PubChem CID 67048776) has the molecular formula C35H36Cl2 and a molecular weight of 527.58 g/mol. Its IUPAC name is 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene.

Molecular Properties

Compound Name3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene
PubChem CID67048776
Molecular FormulaC35H36Cl2
Molecular Weight527.58 g/mol
Exact Mass526.22
IUPAC Name3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene
SMILESCc1cc(Cl)ccc1-c1cc2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(-c3ccc(Cl)cc3C)cc1C2
InChIInChI=1S/C35H36Cl2/c1-20-13-24(36)9-11-26(20)30-16-22-15-23-17-31(27-12-10-25(37)14-21(27)2)33(35(6,7)8)19-29(23)28(22)18-32(30)34(3,4)5/h9-14,16-19H,15H2,1-8H3
InChIKeyFPDIVFWMRXMXHD-UHFFFAOYSA-N
XLogP11.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.58
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene?
The IUPAC name of 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene (CID 67048776) is 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene.
What is the SMILES notation for 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene?
The canonical SMILES for 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene is Cc1cc(Cl)ccc1-c1cc2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(-c3ccc(Cl)cc3C)cc1C2.
What is the InChIKey of 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene?
The InChIKey is FPDIVFWMRXMXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36Cl2/c1-20-13-24(36)9-11-26(20)30-16-22-15-23-17-31(27-12-10-25(37)14-21(27)2)33(35(6,7)8)19-29(23)28(22)18-32(30)34(3,4)5/h9-14,16-19H,15H2,1-8H3.
What are the key properties of 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene?
3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene has a molecular weight of 527.58 g/mol, XLogP of 11.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene is sourced from PubChem (CID 67048776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).