2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

C46H38F6N2 — CID 142501935

IUPAC2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc(C(C)(C)C)cc43)c2c1
InChIInChI=1S/C46H38F6N2/c1-43(2,3)28-18-20-33-31-14-7-9-16-37(31)53(39(33)23-28)41-25-35(27-12-11-13-30(22-27)45(47,48)49)36(46(50,51)52)26-42(41)54-38-17-10-8-15-32(38)34-21-19-29(24-40(34)54)44(4,5)6/h7-26H,1-6H3
InChIKeyXPRVFVWSUQKPQE-UHFFFAOYSA-N
MW732.81 g/mol
LogP14.18
Rot. Bonds3

About 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 142501935) has the molecular formula C46H38F6N2 and a molecular weight of 732.81 g/mol. Its IUPAC name is 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID142501935
Molecular FormulaC46H38F6N2
Molecular Weight732.81 g/mol
Exact Mass732.29
IUPAC Name2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc(C(C)(C)C)cc43)c2c1
InChIInChI=1S/C46H38F6N2/c1-43(2,3)28-18-20-33-31-14-7-9-16-37(31)53(39(33)23-28)41-25-35(27-12-11-13-30(22-27)45(47,48)49)36(46(50,51)52)26-42(41)54-38-17-10-8-15-32(38)34-21-19-29(24-40(34)54)44(4,5)6/h7-26H,1-6H3
InChIKeyXPRVFVWSUQKPQE-UHFFFAOYSA-N
XLogP14.18
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.81
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610974
2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610922
5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 142502095
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(2-tert-butylcarbazol-9-yl)benzonitrile
CID 134473616
3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162611002
2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486549
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134473580
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377959
2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501960
4,5-bis(2-tert-butylcarbazol-9-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 159441695
5-carbazol-9-yl-2-(3-cyanophenyl)-4-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 155646850

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 142501935) is 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc(C(C)(C)C)cc43)c2c1.
What is the InChIKey of 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is XPRVFVWSUQKPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38F6N2/c1-43(2,3)28-18-20-33-31-14-7-9-16-37(31)53(39(33)23-28)41-25-35(27-12-11-13-30(22-27)45(47,48)49)36(46(50,51)52)26-42(41)54-38-17-10-8-15-32(38)34-21-19-29(24-40(34)54)44(4,5)6/h7-26H,1-6H3.
What are the key properties of 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 732.81 g/mol, XLogP of 14.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 142501935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).