3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole

C36H21F4N — CID 169284749

IUPAC3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
SMILESFc1cc(F)cc(-c2ccc3c(c2)c2cc(-c4cc(F)cc(F)c4)ccc2n3-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C36H21F4N/c37-27-14-25(15-28(38)20-27)23-10-12-35-32(18-23)33-19-24(26-16-29(39)21-30(40)17-26)11-13-36(33)41(35)34-9-5-4-8-31(34)22-6-2-1-3-7-22/h1-21H
InChIKeyWJNXASAVZVNUKX-UHFFFAOYSA-N
MW543.56 g/mol
LogP10.34
Rot. Bonds4

About 3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole

3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole (PubChem CID 169284749) has the molecular formula C36H21F4N and a molecular weight of 543.56 g/mol. Its IUPAC name is 3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
PubChem CID169284749
Molecular FormulaC36H21F4N
Molecular Weight543.56 g/mol
Exact Mass543.16
IUPAC Name3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
SMILESFc1cc(F)cc(-c2ccc3c(c2)c2cc(-c4cc(F)cc(F)c4)ccc2n3-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C36H21F4N/c37-27-14-25(15-28(38)20-27)23-10-12-35-32(18-23)33-19-24(26-16-29(39)21-30(40)17-26)11-13-36(33)41(35)34-9-5-4-8-31(34)22-6-2-1-3-7-22/h1-21H
InChIKeyWJNXASAVZVNUKX-UHFFFAOYSA-N
XLogP10.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.56
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284769
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(3,5-difluorophenyl)phenyl]carbazole
CID 169284758
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
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138565238
3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole
CID 169284924
3-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454727
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
2-[3-[6-[3,5-bis(2-cyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]-5-(2-cyanophenyl)phenyl]benzonitrile
CID 169284695
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile
CID 164743983
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole (CID 169284749) is 3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole is Fc1cc(F)cc(-c2ccc3c(c2)c2cc(-c4cc(F)cc(F)c4)ccc2n3-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole?
The InChIKey is WJNXASAVZVNUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21F4N/c37-27-14-25(15-28(38)20-27)23-10-12-35-32(18-23)33-19-24(26-16-29(39)21-30(40)17-26)11-13-36(33)41(35)34-9-5-4-8-31(34)22-6-2-1-3-7-22/h1-21H.
What are the key properties of 3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole?
3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole has a molecular weight of 543.56 g/mol, XLogP of 10.34, 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-difluorophenyl)-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 169284749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).