9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole

C61H47F2N3 — CID 139552881

IUPAC9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2ccccc2F)c(C(C)(C)n2c3ccccc3c3ccccc32)c1-c1ccccc1F
InChIInChI=1S/C61H47F2N3/c1-36-23-27-50-44(31-36)45-32-37(2)24-28-51(45)64(50)56-35-57(65-52-29-25-38(3)33-46(52)47-34-39(4)26-30-53(47)65)59(43-18-8-12-20-49(43)63)60(58(56)42-17-7-11-19-48(42)62)61(5,6)66-54-21-13-9-15-40(54)41-16-10-14-22-55(41)66/h7-35H,1-6H3
InChIKeyVEOLOSPKPMYLFU-UHFFFAOYSA-N
MW860.06 g/mol
LogP16.62
Rot. Bonds6

About 9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole

9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole (PubChem CID 139552881) has the molecular formula C61H47F2N3 and a molecular weight of 860.06 g/mol. Its IUPAC name is 9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole
PubChem CID139552881
Molecular FormulaC61H47F2N3
Molecular Weight860.06 g/mol
Exact Mass859.37
IUPAC Name9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2ccccc2F)c(C(C)(C)n2c3ccccc3c3ccccc32)c1-c1ccccc1F
InChIInChI=1S/C61H47F2N3/c1-36-23-27-50-44(31-36)45-32-37(2)24-28-51(45)64(50)56-35-57(65-52-29-25-38(3)33-46(52)47-34-39(4)26-30-53(47)65)59(43-18-8-12-20-49(43)63)60(58(56)42-17-7-11-19-48(42)62)61(5,6)66-54-21-13-9-15-40(54)41-16-10-14-22-55(41)66/h7-35H,1-6H3
InChIKeyVEOLOSPKPMYLFU-UHFFFAOYSA-N
XLogP16.62
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.06
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
3-[2-(2-carbazol-9-ylpropan-2-yl)-3-(3-cyanophenyl)-4,6-bis(3,6-dimethylcarbazol-9-yl)phenyl]benzonitrile
CID 139552696
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-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole
CID 139552883
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
CID 158882715
9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 122431595
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-(2,3-difluorophenyl)-3,6-dimethylcarbazole
CID 122431603

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 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) is 9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2ccccc2F)c(C(C)(C)n2c3ccccc3c3ccccc32)c1-c1ccccc1F.
What is the InChIKey of 9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is VEOLOSPKPMYLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47F2N3/c1-36-23-27-50-44(31-36)45-32-37(2)24-28-51(45)64(50)56-35-57(65-52-29-25-38(3)33-46(52)47-34-39(4)26-30-53(47)65)59(43-18-8-12-20-49(43)63)60(58(56)42-17-7-11-19-48(42)62)61(5,6)66-54-21-13-9-15-40(54)41-16-10-14-22-55(41)66/h7-35H,1-6H3.
What are the key properties of 9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole?
9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 860.06 g/mol, XLogP of 16.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-carbazol-9-ylpropan-2-yl)-5-(3,6-dimethylcarbazol-9-yl)-2,4-bis(2-fluorophenyl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 139552881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).