9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole

C32H18F6N2 — CID 135136219

IUPAC9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C32H18F6N2/c33-31(34,35)23-18-30(40-27-15-7-3-11-21(27)22-12-4-8-16-28(22)40)24(32(36,37)38)17-29(23)39-25-13-5-1-9-19(25)20-10-2-6-14-26(20)39/h1-18H
InChIKeyDNILVDXTTZPMQS-UHFFFAOYSA-N
MW544.50 g/mol
LogP9.92
Rot. Bonds2

About 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole

9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole (PubChem CID 135136219) has the molecular formula C32H18F6N2 and a molecular weight of 544.50 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
PubChem CID135136219
Molecular FormulaC32H18F6N2
Molecular Weight544.50 g/mol
Exact Mass544.14
IUPAC Name9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C32H18F6N2/c33-31(34,35)23-18-30(40-27-15-7-3-11-21(27)22-12-4-8-16-28(22)40)24(32(36,37)38)17-29(23)39-25-13-5-1-9-19(25)20-10-2-6-14-26(20)39/h1-18H
InChIKeyDNILVDXTTZPMQS-UHFFFAOYSA-N
XLogP9.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.50
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
9-[2,5-bis(trifluoromethyl)phenyl]carbazole
CID 122431295
9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole
CID 170221633
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-methylphenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 170274139
2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 138736236
9-[5-[3-(2-cyanocarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole-2-carbonitrile
CID 138736023
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 169287117
9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 153223414
9-[2-(3,5-difluorophenyl)-4-(2,7-diphenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,7-diphenylcarbazole;9-[2-(3,5-difluorophenyl)-4-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 158702120
9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159679728
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377796
3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610974

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole (CID 135136219) is 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole?
The InChIKey is DNILVDXTTZPMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F6N2/c33-31(34,35)23-18-30(40-27-15-7-3-11-21(27)22-12-4-8-16-28(22)40)24(32(36,37)38)17-29(23)39-25-13-5-1-9-19(25)20-10-2-6-14-26(20)39/h1-18H.
What are the key properties of 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole?
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole has a molecular weight of 544.50 g/mol, XLogP of 9.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 135136219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).