9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole

C57H39F2N3 — CID 139552883

IUPAC9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2F)cc(-c2ccccc2F)c1-n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C57H39F2N3/c1-57(2,62-52-33-17-9-25-42(52)43-26-10-18-34-53(43)62)54-55(60-48-29-13-5-21-38(48)39-22-6-14-30-49(39)60)44(36-19-3-11-27-46(36)58)35-45(37-20-4-12-28-47(37)59)56(54)61-50-31-15-7-23-40(50)41-24-8-16-32-51(41)61/h3-35H,1-2H3
InChIKeyJKWWYMKGBKQJQG-UHFFFAOYSA-N
MW803.96 g/mol
LogP15.38
Rot. Bonds6

About 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole

9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole (PubChem CID 139552883) has the molecular formula C57H39F2N3 and a molecular weight of 803.96 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole
PubChem CID139552883
Molecular FormulaC57H39F2N3
Molecular Weight803.96 g/mol
Exact Mass803.31
IUPAC Name9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2F)cc(-c2ccccc2F)c1-n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C57H39F2N3/c1-57(2,62-52-33-17-9-25-42(52)43-26-10-18-34-53(43)62)54-55(60-48-29-13-5-21-38(48)39-22-6-14-30-49(39)60)44(36-19-3-11-27-46(36)58)35-45(37-20-4-12-28-47(37)59)56(54)61-50-31-15-7-23-40(50)41-24-8-16-32-51(41)61/h3-35H,1-2H3
InChIKeyJKWWYMKGBKQJQG-UHFFFAOYSA-N
XLogP15.38
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.96
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 163676732
9-[2,6-bis(2-carbazol-9-ylpropan-2-yl)-4-(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(2-fluorophenyl)phenyl]-3,6-ditert-butylcarbazole
CID 147893149
9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole
CID 139552881
12-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163733802
14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)-5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163627548
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-5-(2-cyanophenyl)phenyl]benzonitrile
CID 139553006
2-[2,4-di(carbazol-9-yl)-5-(2-cyanophenyl)-3-(trifluoromethyl)phenyl]benzonitrile
CID 139553755
5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552827
9-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole
CID 118914055
9-(2,6-ditert-butyl-4-carbazol-9-ylthieno[2,3-f][1]benzothiol-8-yl)carbazole
CID 123858083
5-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139552775
12-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 139552860

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole (CID 139552883) is 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole is CC(C)(c1c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2F)cc(-c2ccccc2F)c1-n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole?
The InChIKey is JKWWYMKGBKQJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39F2N3/c1-57(2,62-52-33-17-9-25-42(52)43-26-10-18-34-53(43)62)54-55(60-48-29-13-5-21-38(48)39-22-6-14-30-49(39)60)44(36-19-3-11-27-46(36)58)35-45(37-20-4-12-28-47(37)59)56(54)61-50-31-15-7-23-40(50)41-24-8-16-32-51(41)61/h3-35H,1-2H3.
What are the key properties of 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole?
9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole has a molecular weight of 803.96 g/mol, XLogP of 15.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole is sourced from PubChem (CID 139552883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).