3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine

C212H130F9N17 — CID 162139893

IUPAC3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine
SMILES[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-n2c3ccc(C)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C86H50F3N7.C64H44F3N5.C62H36F3N5/c1-90-53-35-40-66(85(47-53)96-83-44-38-56(93-76-30-14-6-22-62(76)63-23-7-15-31-77(63)93)50-70(83)71-51-57(39-45-84(71)96)94-78-32-16-8-24-64(78)65-25-9-17-33-79(65)94)67-46-52(86(87,88)89)34-41-80(67)95-81-42-36-54(91-72-26-10-2-18-58(72)59-19-3-11-27-73(59)91)48-68(81)69-49-55(37-43-82(69)95)92-74-28-12-4-20-60(74)61-21-5-13-29-75(61)92;1-42-24-31-58-53(36-42)56-40-50(69(46-16-8-4-9-17-46)47-18-10-5-11-19-47)28-34-61(56)71(58)60-33-26-44(64(65,66)67)38-55(60)52-30-27-45(68-3)39-63(52)72-59-32-25-43(2)37-54(59)57-41-51(29-35-62(57)72)70(48-20-12-6-13-21-48)49-22-14-7-15-23-49;1-66-39-27-30-48(61(35-39)70-57-25-13-7-19-47(57)51-37-41(29-33-60(51)70)68-54-22-10-4-16-44(54)45-17-5-11-23-55(45)68)49-34-38(62(63,64)65)26-31-58(49)69-56-24-12-6-18-46(56)50-36-40(28-32-59(50)69)67-52-20-8-2-14-42(52)43-15-3-9-21-53(43)67/h2-51H;4-41H,1-2H3;2-37H
InChIKeyZJUCNFQRMDSQNF-UHFFFAOYSA-N
MW3086.47 g/mol
LogP59.49
Rot. Bonds21

About 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine

3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine (PubChem CID 162139893) has the molecular formula C212H130F9N17 and a molecular weight of 3086.47 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine
PubChem CID162139893
Molecular FormulaC212H130F9N17
Molecular Weight3086.47 g/mol
Exact Mass3084.06
IUPAC Name3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine
SMILES[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-n2c3ccc(C)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C86H50F3N7.C64H44F3N5.C62H36F3N5/c1-90-53-35-40-66(85(47-53)96-83-44-38-56(93-76-30-14-6-22-62(76)63-23-7-15-31-77(63)93)50-70(83)71-51-57(39-45-84(71)96)94-78-32-16-8-24-64(78)65-25-9-17-33-79(65)94)67-46-52(86(87,88)89)34-41-80(67)95-81-42-36-54(91-72-26-10-2-18-58(72)59-19-3-11-27-73(59)91)48-68(81)69-49-55(37-43-82(69)95)92-74-28-12-4-20-60(74)61-21-5-13-29-75(61)92;1-42-24-31-58-53(36-42)56-40-50(69(46-16-8-4-9-17-46)47-18-10-5-11-19-47)28-34-61(56)71(58)60-33-26-44(64(65,66)67)38-55(60)52-30-27-45(68-3)39-63(52)72-59-32-25-43(2)37-54(59)57-41-51(29-35-62(57)72)70(48-20-12-6-13-21-48)49-22-14-7-15-23-49;1-66-39-27-30-48(61(35-39)70-57-25-13-7-19-47(57)51-37-41(29-33-60(51)70)68-54-22-10-4-16-44(54)45-17-5-11-23-55(45)68)49-34-38(62(63,64)65)26-31-58(49)69-56-24-12-6-18-46(56)50-36-40(28-32-59(50)69)67-52-20-8-2-14-42(52)43-15-3-9-21-53(43)67/h2-51H;4-41H,1-2H3;2-37H
InChIKeyZJUCNFQRMDSQNF-UHFFFAOYSA-N
XLogP59.49
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms238
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003086.47
LogP ≤ 559.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine (CID 162139893) is 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine is [C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-n2c3ccc(C)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine?
The InChIKey is ZJUCNFQRMDSQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50F3N7.C64H44F3N5.C62H36F3N5/c1-90-53-35-40-66(85(47-53)96-83-44-38-56(93-76-30-14-6-22-62(76)63-23-7-15-31-77(63)93)50-70(83)71-51-57(39-45-84(71)96)94-78-32-16-8-24-64(78)65-25-9-17-33-79(65)94)67-46-52(86(87,88)89)34-41-80(67)95-81-42-36-54(91-72-26-10-2-18-58(72)59-19-3-11-27-73(59)91)48-68(81)69-49-55(37-43-82(69)95)92-74-28-12-4-20-60(74)61-21-5-13-29-75(61)92;1-42-24-31-58-53(36-42)56-40-50(69(46-16-8-4-9-17-46)47-18-10-5-11-19-47)28-34-61(56)71(58)60-33-26-44(64(65,66)67)38-55(60)52-30-27-45(68-3)39-63(52)72-59-32-25-43(2)37-54(59)57-41-51(29-35-62(57)72)70(48-20-12-6-13-21-48)49-22-14-7-15-23-49;1-66-39-27-30-48(61(35-39)70-57-25-13-7-19-47(57)51-37-41(29-33-60(51)70)68-54-22-10-4-16-44(54)45-17-5-11-23-55(45)68)49-34-38(62(63,64)65)26-31-58(49)69-56-24-12-6-18-46(56)50-36-40(28-32-59(50)69)67-52-20-8-2-14-42(52)43-15-3-9-21-53(43)67/h2-51H;4-41H,1-2H3;2-37H.
What are the key properties of 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine?
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine has a molecular weight of 3086.47 g/mol, XLogP of 59.49, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 162139893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).