2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol

C41H30Cl2O2 — CID 157354326

IUPAC2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol
SMILESCC(C)(c1cc(Cl)c(O)c(-c2cccc3c2Cc2ccccc2-3)c1)c1cc(Cl)c(O)c(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C41H30Cl2O2/c1-41(2,25-19-35(39(44)37(42)21-25)31-15-7-13-29-27-11-5-3-9-23(27)17-33(29)31)26-20-36(40(45)38(43)22-26)32-16-8-14-30-28-12-6-4-10-24(28)18-34(30)32/h3-16,19-22,44-45H,17-18H2,1-2H3
InChIKeyBHXCOYDQMRNIDD-UHFFFAOYSA-N
MW625.60 g/mol
LogP11.21
Rot. Bonds4

About 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol

2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol (PubChem CID 157354326) has the molecular formula C41H30Cl2O2 and a molecular weight of 625.60 g/mol. Its IUPAC name is 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol
PubChem CID157354326
Molecular FormulaC41H30Cl2O2
Molecular Weight625.60 g/mol
Exact Mass624.16
IUPAC Name2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol
SMILESCC(C)(c1cc(Cl)c(O)c(-c2cccc3c2Cc2ccccc2-3)c1)c1cc(Cl)c(O)c(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C41H30Cl2O2/c1-41(2,25-19-35(39(44)37(42)21-25)31-15-7-13-29-27-11-5-3-9-23(27)17-33(29)31)26-20-36(40(45)38(43)22-26)32-16-8-14-30-28-12-6-4-10-24(28)18-34(30)32/h3-16,19-22,44-45H,17-18H2,1-2H3
InChIKeyBHXCOYDQMRNIDD-UHFFFAOYSA-N
XLogP11.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.60
LogP ≤ 511.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
4-(9H-fluoren-1-yl)benzene-1,2,3-triol
CID 139434157
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1,3-ditert-butyl-9H-fluorene
CID 175163483
1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene
CID 87814844
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
2-chloro-4-(9H-fluoren-1-yl)-N-methylaniline
CID 137407895
9H-fluoren-1-ol;prop-1-ene
CID 159607408
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
2-(9H-fluoren-1-yl)-4-propylphenol
CID 151190186
2-chloro-9H-fluoren-1-amine
CID 150811433
(2R)-1-chloro-2-(9H-fluoren-2-yl)propan-2-ol
CID 129362356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol?
The IUPAC name of 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol (CID 157354326) is 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol.
What is the SMILES notation for 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol?
The canonical SMILES for 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol is CC(C)(c1cc(Cl)c(O)c(-c2cccc3c2Cc2ccccc2-3)c1)c1cc(Cl)c(O)c(-c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol?
The InChIKey is BHXCOYDQMRNIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30Cl2O2/c1-41(2,25-19-35(39(44)37(42)21-25)31-15-7-13-29-27-11-5-3-9-23(27)17-33(29)31)26-20-36(40(45)38(43)22-26)32-16-8-14-30-28-12-6-4-10-24(28)18-34(30)32/h3-16,19-22,44-45H,17-18H2,1-2H3.
What are the key properties of 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol?
2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol has a molecular weight of 625.60 g/mol, XLogP of 11.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[3-chloro-5-(9H-fluoren-1-yl)-4-hydroxyphenyl]propan-2-yl]-6-(9H-fluoren-1-yl)phenol is sourced from PubChem (CID 157354326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).