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

C98H66F6N6 — CID 139552860

IUPAC12-[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
SMILESCC(C)(c1c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C98H66F6N6/c1-95(2,109-79-51-27-15-35-61(79)62-36-16-28-52-80(62)109)89-87(69-41-11-21-45-73(69)97(99,100)101)93(107-75-47-23-13-39-65(75)67-55-57-83-85(91(67)107)71-43-19-25-49-77(71)105(83)59-31-7-5-8-32-59)90(96(3,4)110-81-53-29-17-37-63(81)64-38-18-30-54-82(64)110)94(88(89)70-42-12-22-46-74(70)98(102,103)104)108-76-48-24-14-40-66(76)68-56-58-84-86(92(68)108)72-44-20-26-50-78(72)106(84)60-33-9-6-10-34-60/h5-58H,1-4H3
InChIKeyKQTUCJHXTDFASH-UHFFFAOYSA-N
MW1441.64 g/mol
LogP27.23
Rot. Bonds10

About 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

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 (PubChem CID 139552860) has the molecular formula C98H66F6N6 and a molecular weight of 1441.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID139552860
Molecular FormulaC98H66F6N6
Molecular Weight1441.64 g/mol
Exact Mass1440.53
IUPAC Name12-[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
SMILESCC(C)(c1c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C98H66F6N6/c1-95(2,109-79-51-27-15-35-61(79)62-36-16-28-52-80(62)109)89-87(69-41-11-21-45-73(69)97(99,100)101)93(107-75-47-23-13-39-65(75)67-55-57-83-85(91(67)107)71-43-19-25-49-77(71)105(83)59-31-7-5-8-32-59)90(96(3,4)110-81-53-29-17-37-63(81)64-38-18-30-54-82(64)110)94(88(89)70-42-12-22-46-74(70)98(102,103)104)108-76-48-24-14-40-66(76)68-56-58-84-86(92(68)108)72-44-20-26-50-78(72)106(84)60-33-9-6-10-34-60/h5-58H,1-4H3
InChIKeyKQTUCJHXTDFASH-UHFFFAOYSA-N
XLogP27.23
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001441.64
LogP ≤ 527.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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
2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386767
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 146771699
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
12-[3-tert-butyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 139553137
4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 162166925
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-ditert-butyl-3,5-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 139552710
5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 139553531
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C(C)(C)n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1ccccc1C(F)(F)F)n1c2ccccc2c2ccccc21.
What is the InChIKey of 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?
The InChIKey is KQTUCJHXTDFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H66F6N6/c1-95(2,109-79-51-27-15-35-61(79)62-36-16-28-52-80(62)109)89-87(69-41-11-21-45-73(69)97(99,100)101)93(107-75-47-23-13-39-65(75)67-55-57-83-85(91(67)107)71-43-19-25-49-77(71)105(83)59-31-7-5-8-32-59)90(96(3,4)110-81-53-29-17-37-63(81)64-38-18-30-54-82(64)110)94(88(89)70-42-12-22-46-74(70)98(102,103)104)108-76-48-24-14-40-66(76)68-56-58-84-86(92(68)108)72-44-20-26-50-78(72)106(84)60-33-9-6-10-34-60/h5-58H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1441.64 g/mol, XLogP of 27.23, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139552860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).