3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole

C39H22F4N4 — CID 169284924

IUPAC3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole
SMILESFc1cc(F)cc(-c2ccc3c(c2)c2cc(-c4cc(F)cc(F)c4)ccc2n3-c2ccccc2-c2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C39H22F4N4/c40-28-14-26(15-29(41)20-28)23-7-11-38-33(18-23)34-19-24(27-16-30(42)21-31(43)17-27)8-12-39(34)47(38)37-6-2-1-5-32(37)36-10-9-35(45-46-36)25-4-3-13-44-22-25/h1-22H
InChIKeyJSCYZTMUZPEUGF-UHFFFAOYSA-N
MW622.63 g/mol
LogP10.19
Rot. Bonds5

About 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole

3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole (PubChem CID 169284924) has the molecular formula C39H22F4N4 and a molecular weight of 622.63 g/mol. Its IUPAC name is 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole
PubChem CID169284924
Molecular FormulaC39H22F4N4
Molecular Weight622.63 g/mol
Exact Mass622.18
IUPAC Name3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole
SMILESFc1cc(F)cc(-c2ccc3c(c2)c2cc(-c4cc(F)cc(F)c4)ccc2n3-c2ccccc2-c2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C39H22F4N4/c40-28-14-26(15-29(41)20-28)23-7-11-38-33(18-23)34-19-24(27-16-30(42)21-31(43)17-27)8-12-39(34)47(38)37-6-2-1-5-32(37)36-10-9-35(45-46-36)25-4-3-13-44-22-25/h1-22H
InChIKeyJSCYZTMUZPEUGF-UHFFFAOYSA-N
XLogP10.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.63
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
CID 169284749
(1Z,3Z)-1-[2-[3,6-bis(3,5-difluorophenyl)carbazol-9-yl]phenyl]-4-pyridin-3-ylbuta-1,3-diene-1,4-diamine
CID 163700564
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
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
9-[2,3-bis(3,6-diphenylcarbazol-9-yl)-5-[4-pyridin-3-yl-3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138700405
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 138565349
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 138565345
3,6-di(carbazol-9-yl)-9-[2-[5-[4-[3-[9-[9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-pyridin-3-ylphenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-pyridin-3-ylphenyl]carbazole
CID 138663312
3,6-bis(3,5-dichlorophenyl)-9-[2-(2-fluorophenyl)phenyl]carbazole
CID 169284801
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole?
The IUPAC name of 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole (CID 169284924) is 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole?
The canonical SMILES for 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole is Fc1cc(F)cc(-c2ccc3c(c2)c2cc(-c4cc(F)cc(F)c4)ccc2n3-c2ccccc2-c2ccc(-c3cccnc3)nn2)c1.
What is the InChIKey of 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole?
The InChIKey is JSCYZTMUZPEUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22F4N4/c40-28-14-26(15-29(41)20-28)23-7-11-38-33(18-23)34-19-24(27-16-30(42)21-31(43)17-27)8-12-39(34)47(38)37-6-2-1-5-32(37)36-10-9-35(45-46-36)25-4-3-13-44-22-25/h1-22H.
What are the key properties of 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole?
3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole has a molecular weight of 622.63 g/mol, XLogP of 10.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,5-difluorophenyl)-9-[2-(6-pyridin-3-ylpyridazin-3-yl)phenyl]carbazole is sourced from PubChem (CID 169284924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).