3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole

C36H20Cl4FN — CID 169284801

IUPAC3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole
SMILESFc1ccccc1-c1ccccc1-n1c2ccc(-c3cc(Cl)cc(Cl)c3)cc2c2cc(-c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C36H20Cl4FN/c37-25-13-23(14-26(38)19-25)21-9-11-35-31(17-21)32-18-22(24-15-27(39)20-28(40)16-24)10-12-36(32)42(35)34-8-4-2-6-30(34)29-5-1-3-7-33(29)41/h1-20H
InChIKeyZRIWUYGDNYMBIJ-UHFFFAOYSA-N
MW627.37 g/mol
LogP12.54
Rot. Bonds4

About 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole

3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole (PubChem CID 169284801) has the molecular formula C36H20Cl4FN and a molecular weight of 627.37 g/mol. Its IUPAC name is 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole
PubChem CID169284801
Molecular FormulaC36H20Cl4FN
Molecular Weight627.37 g/mol
Exact Mass625.03
IUPAC Name3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole
SMILESFc1ccccc1-c1ccccc1-n1c2ccc(-c3cc(Cl)cc(Cl)c3)cc2c2cc(-c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C36H20Cl4FN/c37-25-13-23(14-26(38)19-25)21-9-11-35-31(17-21)32-18-22(24-15-27(39)20-28(40)16-24)10-12-36(32)42(35)34-8-4-2-6-30(34)29-5-1-3-7-33(29)41/h1-20H
InChIKeyZRIWUYGDNYMBIJ-UHFFFAOYSA-N
XLogP12.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.37
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454727
3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
CID 169284749
3,6-bis[3,5-bis(2-deuteriophenyl)phenyl]-9-(2-fluorophenyl)carbazole
CID 169284873
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(3,5-difluorophenyl)phenyl]carbazole
CID 169284758
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284769
9-[2-[4-(4-chlorophenyl)phenyl]phenyl]carbazole
CID 142416174
3-[6-(3-cyano-5-isocyanophenyl)-9-[2-(2,3-difluorophenyl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 169284731
3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole
CID 169284709
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole?
The IUPAC name of 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole (CID 169284801) is 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole?
The canonical SMILES for 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole is Fc1ccccc1-c1ccccc1-n1c2ccc(-c3cc(Cl)cc(Cl)c3)cc2c2cc(-c3cc(Cl)cc(Cl)c3)ccc21.
What is the InChIKey of 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole?
The InChIKey is ZRIWUYGDNYMBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20Cl4FN/c37-25-13-23(14-26(38)19-25)21-9-11-35-31(17-21)32-18-22(24-15-27(39)20-28(40)16-24)10-12-36(32)42(35)34-8-4-2-6-30(34)29-5-1-3-7-33(29)41/h1-20H.
What are the key properties of 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole?
3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole has a molecular weight of 627.37 g/mol, XLogP of 12.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole is sourced from PubChem (CID 169284801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).