9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole

C223H136F15N15 — CID 162186620

IUPAC9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1cc(-c2cc(C)cc(C)c2)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c1-c1c(-c2cc(C)cc(C(F)(F)F)c2)cccc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C93H59N7.C69H39F6N5.C61H38F9N3/c1-57-49-58(2)51-60(50-57)59-39-44-91(99-87-45-40-61(95-79-30-12-4-21-65(79)66-22-5-13-31-80(66)95)53-73(87)74-54-62(41-46-88(74)99)96-81-32-14-6-23-67(81)68-24-7-15-33-82(68)96)77(52-59)93-78(94-3)29-20-38-92(93)100-89-47-42-63(97-83-34-16-8-25-69(83)70-26-9-17-35-84(70)97)55-75(89)76-56-64(43-48-90(76)100)98-85-36-18-10-27-71(85)72-28-11-19-37-86(72)98;1-76-55-23-15-31-65(80-61-29-13-7-21-52(61)54-40-45(33-35-63(54)80)78-58-26-10-4-18-49(58)50-19-5-11-27-59(50)78)67(55)66-46(41-36-42(68(70,71)72)38-43(37-41)69(73,74)75)22-14-30-64(66)79-60-28-12-6-20-51(60)53-39-44(32-34-62(53)79)77-56-24-8-2-16-47(56)48-17-3-9-25-57(48)77;1-34-19-23-42(36(3)27-34)37-20-25-54-47(31-37)45-11-6-8-16-52(45)73(54)56-18-10-14-50(71-4)58(56)57-44(39-28-35(2)29-41(30-39)60(65,66)67)13-9-17-55(57)72-51-15-7-5-12-46(51)48-32-38(21-26-53(48)72)43-24-22-40(59(62,63)64)33-49(43)61(68,69)70/h4-56H,1-2H3;2-40H;5-33H,1-3H3
InChIKeyZPSUHUBHNBQAHL-UHFFFAOYSA-N
MW3310.62 g/mol
LogP63.85
Rot. Bonds20

About 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole

9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole (PubChem CID 162186620) has the molecular formula C223H136F15N15 and a molecular weight of 3310.62 g/mol. Its IUPAC name is 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole
PubChem CID162186620
Molecular FormulaC223H136F15N15
Molecular Weight3310.62 g/mol
Exact Mass3308.09
IUPAC Name9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1cc(-c2cc(C)cc(C)c2)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c1-c1c(-c2cc(C)cc(C(F)(F)F)c2)cccc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C93H59N7.C69H39F6N5.C61H38F9N3/c1-57-49-58(2)51-60(50-57)59-39-44-91(99-87-45-40-61(95-79-30-12-4-21-65(79)66-22-5-13-31-80(66)95)53-73(87)74-54-62(41-46-88(74)99)96-81-32-14-6-23-67(81)68-24-7-15-33-82(68)96)77(52-59)93-78(94-3)29-20-38-92(93)100-89-47-42-63(97-83-34-16-8-25-69(83)70-26-9-17-35-84(70)97)55-75(89)76-56-64(43-48-90(76)100)98-85-36-18-10-27-71(85)72-28-11-19-37-86(72)98;1-76-55-23-15-31-65(80-61-29-13-7-21-52(61)54-40-45(33-35-63(54)80)78-58-26-10-4-18-49(58)50-19-5-11-27-59(50)78)67(55)66-46(41-36-42(68(70,71)72)38-43(37-41)69(73,74)75)22-14-30-64(66)79-60-28-12-6-20-51(60)53-39-44(32-34-62(53)79)77-56-24-8-2-16-47(56)48-17-3-9-25-57(48)77;1-34-19-23-42(36(3)27-34)37-20-25-54-47(31-37)45-11-6-8-16-52(45)73(54)56-18-10-14-50(71-4)58(56)57-44(39-28-35(2)29-41(30-39)60(65,66)67)13-9-17-55(57)72-51-15-7-5-12-46(51)48-32-38(21-26-53(48)72)43-24-22-40(59(62,63)64)33-49(43)61(68,69)70/h4-56H,1-2H3;2-40H;5-33H,1-3H3
InChIKeyZPSUHUBHNBQAHL-UHFFFAOYSA-N
XLogP63.85
TPSA72.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003310.62
LogP ≤ 563.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole with MolForge

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Related Compounds

3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole
CID 159181024
9-[3-isocyano-2-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 159158634
3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole
CID 162186622
9-[2-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 159969988
2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158568133
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-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 161096824
3-(2,4-dimethylphenyl)-9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-isocyanophenyl)carbazole;9-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 161401352
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-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole
CID 159152968
9-[2-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]-3,6-bis(3,5-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;4-[9-[2-[2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[3-isocyano-2-[2-[3-(4-isocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 161018291
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158456753

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole?
The IUPAC name of 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole (CID 162186620) is 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole.
What is the SMILES notation for 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole?
The canonical SMILES for 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole is [C-]#[N+]c1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1cc(-c2cc(C)cc(C)c2)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c1-c1c(-c2cc(C)cc(C(F)(F)F)c2)cccc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole?
The InChIKey is ZPSUHUBHNBQAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H59N7.C69H39F6N5.C61H38F9N3/c1-57-49-58(2)51-60(50-57)59-39-44-91(99-87-45-40-61(95-79-30-12-4-21-65(79)66-22-5-13-31-80(66)95)53-73(87)74-54-62(41-46-88(74)99)96-81-32-14-6-23-67(81)68-24-7-15-33-82(68)96)77(52-59)93-78(94-3)29-20-38-92(93)100-89-47-42-63(97-83-34-16-8-25-69(83)70-26-9-17-35-84(70)97)55-75(89)76-56-64(43-48-90(76)100)98-85-36-18-10-27-71(85)72-28-11-19-37-86(72)98;1-76-55-23-15-31-65(80-61-29-13-7-21-52(61)54-40-45(33-35-63(54)80)78-58-26-10-4-18-49(58)50-19-5-11-27-59(50)78)67(55)66-46(41-36-42(68(70,71)72)38-43(37-41)69(73,74)75)22-14-30-64(66)79-60-28-12-6-20-51(60)53-39-44(32-34-62(53)79)77-56-24-8-2-16-47(56)48-17-3-9-25-57(48)77;1-34-19-23-42(36(3)27-34)37-20-25-54-47(31-37)45-11-6-8-16-52(45)73(54)56-18-10-14-50(71-4)58(56)57-44(39-28-35(2)29-41(30-39)60(65,66)67)13-9-17-55(57)72-51-15-7-5-12-46(51)48-32-38(21-26-53(48)72)43-24-22-40(59(62,63)64)33-49(43)61(68,69)70/h4-56H,1-2H3;2-40H;5-33H,1-3H3.
What are the key properties of 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole?
9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole has a molecular weight of 3310.62 g/mol, XLogP of 63.85, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole is sourced from PubChem (CID 162186620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).