9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole

C81H68F3N3 — CID 159067303

IUPAC9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccc(-c3c(C)cc(C)cc3C)cc2c2cc(-c3c(C)cc(C)cc3C)ccc21
InChIInChI=1S/C81H68F3N3/c1-44-29-49(6)77(50(7)30-44)58-16-25-72-67(39-58)68-40-59(78-51(8)31-45(2)32-52(78)9)17-26-73(68)86(72)63-21-23-71(85-14)65(43-63)66-38-57(64-22-20-62(37-48(64)5)81(82,83)84)15-24-74(66)87-75-27-18-60(79-53(10)33-46(3)34-54(79)11)41-69(75)70-42-61(19-28-76(70)87)80-55(12)35-47(4)36-56(80)13/h15-43H,1-13H3
InChIKeyHNPOPXOUERJYOY-UHFFFAOYSA-N
MW1140.45 g/mol
LogP23.46
Rot. Bonds8

About 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole

9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (PubChem CID 159067303) has the molecular formula C81H68F3N3 and a molecular weight of 1140.45 g/mol. Its IUPAC name is 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
PubChem CID159067303
Molecular FormulaC81H68F3N3
Molecular Weight1140.45 g/mol
Exact Mass1139.54
IUPAC Name9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccc(-c3c(C)cc(C)cc3C)cc2c2cc(-c3c(C)cc(C)cc3C)ccc21
InChIInChI=1S/C81H68F3N3/c1-44-29-49(6)77(50(7)30-44)58-16-25-72-67(39-58)68-40-59(78-51(8)31-45(2)32-52(78)9)17-26-73(68)86(72)63-21-23-71(85-14)65(43-63)66-38-57(64-22-20-62(37-48(64)5)81(82,83)84)15-24-74(66)87-75-27-18-60(79-53(10)33-46(3)34-54(79)11)41-69(75)70-42-61(19-28-76(70)87)80-55(12)35-47(4)36-56(80)13/h15-43H,1-13H3
InChIKeyHNPOPXOUERJYOY-UHFFFAOYSA-N
XLogP23.46
TPSA14.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001140.45
LogP ≤ 523.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole with MolForge

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Related Compounds

3-carbazol-9-yl-9-[2-[5-(3-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162103210
9-[2-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158569258
3-tert-butyl-9-[2-[5-(3-tert-butylcarbazol-9-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 161021692
9-[4-isocyano-3-[5-[2-isocyano-4-(trifluoromethyl)phenyl]-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158766209
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 153435023
5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159237825
9-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 158217154
4-[9-[3-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 160921186
2-[5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-isocyanophenyl]-4-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 160872342
9-[3-isocyano-2-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 159158634
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 157206329
3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-3-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 153435105

Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (CID 159067303) is 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is [C-]#[N+]c1ccc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccc(-c3c(C)cc(C)cc3C)cc2c2cc(-c3c(C)cc(C)cc3C)ccc21.
What is the InChIKey of 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The InChIKey is HNPOPXOUERJYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H68F3N3/c1-44-29-49(6)77(50(7)30-44)58-16-25-72-67(39-58)68-40-59(78-51(8)31-45(2)32-52(78)9)17-26-73(68)86(72)63-21-23-71(85-14)65(43-63)66-38-57(64-22-20-62(37-48(64)5)81(82,83)84)15-24-74(66)87-75-27-18-60(79-53(10)33-46(3)34-54(79)11)41-69(75)70-42-61(19-28-76(70)87)80-55(12)35-47(4)36-56(80)13/h15-43H,1-13H3.
What are the key properties of 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole has a molecular weight of 1140.45 g/mol, XLogP of 23.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 159067303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).