9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole

C160H95F9N22 — CID 157347265

IUPAC9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccncc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccncc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccncc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C54H34F6N6.C54H28N10.C52H33F3N6/c1-31-13-19-44-40(25-31)41-26-32(2)14-20-45(41)65(44)48-27-35(52-63-50(33-9-5-3-6-10-33)62-51(64-52)34-11-7-4-8-12-34)15-18-38(48)39-23-24-61-30-49(39)66-46-21-16-36(53(55,56)57)28-42(46)43-29-37(54(58,59)60)17-22-47(43)66;1-57-38-16-21-48-44(28-38)45-29-39(58-2)17-22-49(45)63(48)50-27-37(54-61-52(35-9-5-3-6-10-35)60-53(62-54)36-11-7-4-8-12-36)15-18-40(50)41-23-24-59-32-51(41)64-46-19-13-33(30-55)25-42(46)43-26-34(31-56)14-20-47(43)64;1-32-20-24-45-41(28-32)37-16-8-10-18-43(37)60(45)47-29-35(51-58-49(33-12-4-2-5-13-33)57-50(59-51)34-14-6-3-7-15-34)21-23-39(47)40-26-27-56-31-48(40)61-44-19-11-9-17-38(44)42-30-36(52(53,54)55)22-25-46(42)61/h3-30H,1-2H3;3-29,32H;2-31H,1H3
InChIKeyBHCRZMPZIQASLU-UHFFFAOYSA-N
MW2496.66 g/mol
LogP41.21
Rot. Bonds18

About 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole

9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole (PubChem CID 157347265) has the molecular formula C160H95F9N22 and a molecular weight of 2496.66 g/mol. Its IUPAC name is 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
PubChem CID157347265
Molecular FormulaC160H95F9N22
Molecular Weight2496.66 g/mol
Exact Mass2494.80
IUPAC Name9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccncc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccncc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccncc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C54H34F6N6.C54H28N10.C52H33F3N6/c1-31-13-19-44-40(25-31)41-26-32(2)14-20-45(41)65(44)48-27-35(52-63-50(33-9-5-3-6-10-33)62-51(64-52)34-11-7-4-8-12-34)15-18-38(48)39-23-24-61-30-49(39)66-46-21-16-36(53(55,56)57)28-42(46)43-29-37(54(58,59)60)17-22-47(43)66;1-57-38-16-21-48-44(28-38)45-29-39(58-2)17-22-49(45)63(48)50-27-37(54-61-52(35-9-5-3-6-10-35)60-53(62-54)36-11-7-4-8-12-36)15-18-40(50)41-23-24-59-32-51(41)64-46-19-13-33(30-55)25-42(46)43-26-34(31-56)14-20-47(43)64;1-32-20-24-45-41(28-32)37-16-8-10-18-43(37)60(45)47-29-35(51-58-49(33-12-4-2-5-13-33)57-50(59-51)34-14-6-3-7-15-34)21-23-39(47)40-26-27-56-31-48(40)61-44-19-11-9-17-38(44)42-30-36(52(53,54)55)22-25-46(42)61/h3-30H,1-2H3;3-29,32H;2-31H,1H3
InChIKeyBHCRZMPZIQASLU-UHFFFAOYSA-N
XLogP41.21
TPSA240.56 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002496.66
LogP ≤ 541.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole with MolForge

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Related Compounds

3-[2-[4-Methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole
CID 70906150
9-Phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole
CID 87849614
7-(1,10-Diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 90183220
2,6-Bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287527
5-[3,6-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134287531
2,5-Bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287572
2,5-Bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287620
2,5-Bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287626
4-[3,5-Bis(trifluoromethyl)phenyl]-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134287634
4,5-Bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287680
2,5-Bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295634
2,5-Bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295637

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole (CID 157347265) is 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccncc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccncc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccncc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.
What is the InChIKey of 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
The InChIKey is BHCRZMPZIQASLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34F6N6.C54H28N10.C52H33F3N6/c1-31-13-19-44-40(25-31)41-26-32(2)14-20-45(41)65(44)48-27-35(52-63-50(33-9-5-3-6-10-33)62-51(64-52)34-11-7-4-8-12-34)15-18-38(48)39-23-24-61-30-49(39)66-46-21-16-36(53(55,56)57)28-42(46)43-29-37(54(58,59)60)17-22-47(43)66;1-57-38-16-21-48-44(28-38)45-29-39(58-2)17-22-49(45)63(48)50-27-37(54-61-52(35-9-5-3-6-10-35)60-53(62-54)36-11-7-4-8-12-36)15-18-40(50)41-23-24-59-32-51(41)64-46-19-13-33(30-55)25-42(46)43-26-34(31-56)14-20-47(43)64;1-32-20-24-45-41(28-32)37-16-8-10-18-43(37)60(45)47-29-35(51-58-49(33-12-4-2-5-13-33)57-50(59-51)34-14-6-3-7-15-34)21-23-39(47)40-26-27-56-31-48(40)61-44-19-11-9-17-38(44)42-30-36(52(53,54)55)22-25-46(42)61/h3-30H,1-2H3;3-29,32H;2-31H,1H3.
What are the key properties of 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole?
9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole has a molecular weight of 2496.66 g/mol, XLogP of 41.21, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[4-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 157347265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).