9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole

C60H34F4N4 — CID 140923110

IUPAC9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole
SMILESFc1cc(F)c(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4cc(-n5c6ccccc6c6ccccc65)c(F)cc4F)ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H34F4N4/c61-44-31-46(63)58(33-56(44)65-48-21-7-1-14-37(48)38-15-2-8-22-49(38)65)67-52-25-11-5-18-41(52)43-30-35(28-29-54(43)67)36-20-13-27-55-60(36)42-19-6-12-26-53(42)68(55)59-34-57(45(62)32-47(59)64)66-50-23-9-3-16-39(50)40-17-4-10-24-51(40)66/h1-34H
InChIKeyPRDMWHSVCKXFSA-UHFFFAOYSA-N
MW886.95 g/mol
LogP16.30
Rot. Bonds5

About 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole

9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole (PubChem CID 140923110) has the molecular formula C60H34F4N4 and a molecular weight of 886.95 g/mol. Its IUPAC name is 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole
PubChem CID140923110
Molecular FormulaC60H34F4N4
Molecular Weight886.95 g/mol
Exact Mass886.27
IUPAC Name9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole
SMILESFc1cc(F)c(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4cc(-n5c6ccccc6c6ccccc65)c(F)cc4F)ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H34F4N4/c61-44-31-46(63)58(33-56(44)65-48-21-7-1-14-37(48)38-15-2-8-22-49(38)65)67-52-25-11-5-18-41(52)43-30-35(28-29-54(43)67)36-20-13-27-55-60(36)42-19-6-12-26-53(42)68(55)59-34-57(45(62)32-47(59)64)66-50-23-9-3-16-39(50)40-17-4-10-24-51(40)66/h1-34H
InChIKeyPRDMWHSVCKXFSA-UHFFFAOYSA-N
XLogP16.30
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.95
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
9-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422818
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022
4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline
CID 142724935
4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 130193086

Frequently Asked Questions

What is the IUPAC name of 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole?
The IUPAC name of 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole (CID 140923110) is 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole.
What is the SMILES notation for 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole?
The canonical SMILES for 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole is Fc1cc(F)c(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4cc(-n5c6ccccc6c6ccccc65)c(F)cc4F)ccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole?
The InChIKey is PRDMWHSVCKXFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34F4N4/c61-44-31-46(63)58(33-56(44)65-48-21-7-1-14-37(48)38-15-2-8-22-49(38)65)67-52-25-11-5-18-41(52)43-30-35(28-29-54(43)67)36-20-13-27-55-60(36)42-19-6-12-26-53(42)68(55)59-34-57(45(62)32-47(59)64)66-50-23-9-3-16-39(50)40-17-4-10-24-51(40)66/h1-34H.
What are the key properties of 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole?
9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole has a molecular weight of 886.95 g/mol, XLogP of 16.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole is sourced from PubChem (CID 140923110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).