3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole

C171H110F4N12O — CID 161265508

IUPAC3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.FC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Fc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C43H26F3N3.C43H29N3O.C43H29N3.C42H26FN3/c44-43(45,46)27-17-19-28(20-18-27)47-41-23-21-29(48-37-13-5-1-9-31(37)32-10-2-6-14-38(32)48)25-35(41)36-26-30(22-24-42(36)47)49-39-15-7-3-11-33(39)34-12-4-8-16-40(34)49;1-47-31-22-18-28(19-23-31)44-42-24-20-29(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-30(21-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46;1-28-18-20-29(21-19-28)44-42-24-22-30(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-31(23-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46;43-27-17-19-28(20-18-27)44-41-23-21-29(45-37-13-5-1-9-31(37)32-10-2-6-14-38(32)45)25-35(41)36-26-30(22-24-42(36)44)46-39-15-7-3-11-33(39)34-12-4-8-16-40(34)46/h1-26H;2-27H,1H3;2-27H,1H3;1-26H
InChIKeyVDCWHJBMVDPEEH-UHFFFAOYSA-N
MW2424.84 g/mol
LogP45.39
Rot. Bonds13

About 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole

3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole (PubChem CID 161265508) has the molecular formula C171H110F4N12O and a molecular weight of 2424.84 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole
PubChem CID161265508
Molecular FormulaC171H110F4N12O
Molecular Weight2424.84 g/mol
Exact Mass2422.89
IUPAC Name3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.FC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Fc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C43H26F3N3.C43H29N3O.C43H29N3.C42H26FN3/c44-43(45,46)27-17-19-28(20-18-27)47-41-23-21-29(48-37-13-5-1-9-31(37)32-10-2-6-14-38(32)48)25-35(41)36-26-30(22-24-42(36)47)49-39-15-7-3-11-33(39)34-12-4-8-16-40(34)49;1-47-31-22-18-28(19-23-31)44-42-24-20-29(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-30(21-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46;1-28-18-20-29(21-19-28)44-42-24-22-30(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-31(23-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46;43-27-17-19-28(20-18-27)44-41-23-21-29(45-37-13-5-1-9-31(37)32-10-2-6-14-38(32)45)25-35(41)36-26-30(22-24-42(36)44)46-39-15-7-3-11-33(39)34-12-4-8-16-40(34)46/h1-26H;2-27H,1H3;2-27H,1H3;1-26H
InChIKeyVDCWHJBMVDPEEH-UHFFFAOYSA-N
XLogP45.39
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002424.84
LogP ≤ 545.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 154717251
9-[3-[4-(5-Carbazol-9-yl-2-methoxyphenyl)-2,5-difluorophenyl]-4-nitrophenyl]carbazole
CID 59147199
N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 59227155
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59381381
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59381416
3-N,6-N-diphenyl-3-N,6-N,9-tris[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582206
3-N,6-N,9-triphenyl-3-N,6-N-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582226
N-(4-fluorophenyl)-N-(4-phenoxyphenyl)-9-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720536
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720542
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine
CID 59720546
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine
CID 59720548
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720556

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole (CID 161265508) is 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole is COc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.FC(F)(F)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Fc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is VDCWHJBMVDPEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26F3N3.C43H29N3O.C43H29N3.C42H26FN3/c44-43(45,46)27-17-19-28(20-18-27)47-41-23-21-29(48-37-13-5-1-9-31(37)32-10-2-6-14-38(32)48)25-35(41)36-26-30(22-24-42(36)47)49-39-15-7-3-11-33(39)34-12-4-8-16-40(34)49;1-47-31-22-18-28(19-23-31)44-42-24-20-29(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-30(21-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46;1-28-18-20-29(21-19-28)44-42-24-22-30(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-31(23-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46;43-27-17-19-28(20-18-27)44-41-23-21-29(45-37-13-5-1-9-31(37)32-10-2-6-14-38(32)45)25-35(41)36-26-30(22-24-42(36)44)46-39-15-7-3-11-33(39)34-12-4-8-16-40(34)46/h1-26H;2-27H,1H3;2-27H,1H3;1-26H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole?
3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 2424.84 g/mol, XLogP of 45.39, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-(4-fluorophenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methoxyphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-[4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 161265508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).