9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile

C205H138F6N12 — CID 160637245

About 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile

9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile (PubChem CID 160637245) has the molecular formula C205H138F6N12 and a molecular weight of 2883.43 g/mol. Its IUPAC name is 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile.

Molecular Properties

• Compound Name: 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile
• PubChem CID: 160637245
• Molecular Formula: C205H138F6N12
• Molecular Weight: 2883.43 g/mol
• Exact Mass: 2881.11
• IUPAC Name: 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile
• SMILES: Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C#N)cc3C)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)c(-c2cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)ccc2-c2ccc([N+]#[C-])cc2C(F)(F)F)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4cccc(C)c4)cc3c3cc(-c4cccc(C)c4)ccc32)c(-c2cc(-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)ccc2-c2ccc([N+]#[C-])cc2C(F)(F)F)c1
• InChI: InChI=1S/2C73H49F3N4.C59H40N4/c1-44-7-15-48(16-8-44)52-23-32-68-62(37-52)63-38-53(49-17-9-45(2)10-18-49)24-33-69(63)79(68)58-29-31-59(60-30-27-57(78-6)42-67(60)73(74,75)76)61(43-58)66-41-56(77-5)28-36-72(66)80-70-34-25-54(50-19-11-46(3)12-20-50)39-64(70)65-40-55(26-35-71(65)80)51-21-13-47(4)14-22-51;1-44-11-7-15-48(33-44)52-19-28-68-62(37-52)63-38-53(49-16-8-12-45(2)34-49)20-29-69(63)79(68)58-25-27-59(60-26-23-57(78-6)42-67(60)73(74,75)76)61(43-58)66-41-56(77-5)24-32-72(66)80-70-30-21-54(50-17-9-13-46(3)35-50)39-64(70)65-40-55(22-31-71(65)80)51-18-10-14-47(4)36-51;1-37-12-18-42(19-13-37)44-22-28-57-53(32-44)49-8-4-6-10-55(49)62(57)46-24-26-48(47-25-16-40(35-60)30-39(47)3)51(34-46)52-31-41(36-61)17-27-58(52)63-56-11-7-5-9-50(56)54-33-45(23-29-59(54)63)43-20-14-38(2)15-21-43/h2*7-43H,1-4H3;4-34H,1-3H3
• InChIKey: RIRTWGXFZHEPKI-UHFFFAOYSA-N
• XLogP: 57.69
• TPSA: 94.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2883.43
LogP ≤ 5	57.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile?

The IUPAC name of 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile (CID 160637245) is 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile.

What is the SMILES notation for 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile?

The canonical SMILES for 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C#N)cc3C)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)c(-c2cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)ccc2-c2ccc([N+]#[C-])cc2C(F)(F)F)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4cccc(C)c4)cc3c3cc(-c4cccc(C)c4)ccc32)c(-c2cc(-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)ccc2-c2ccc([N+]#[C-])cc2C(F)(F)F)c1.

What is the InChIKey of 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile?

The InChIKey is RIRTWGXFZHEPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C73H49F3N4.C59H40N4/c1-44-7-15-48(16-8-44)52-23-32-68-62(37-52)63-38-53(49-17-9-45(2)10-18-49)24-33-69(63)79(68)58-29-31-59(60-30-27-57(78-6)42-67(60)73(74,75)76)61(43-58)66-41-56(77-5)28-36-72(66)80-70-34-25-54(50-19-11-46(3)12-20-50)39-64(70)65-40-55(26-35-71(65)80)51-21-13-47(4)14-22-51;1-44-11-7-15-48(33-44)52-19-28-68-62(37-52)63-38-53(49-16-8-12-45(2)34-49)20-29-69(63)79(68)58-25-27-59(60-26-23-57(78-6)42-67(60)73(74,75)76)61(43-58)66-41-56(77-5)24-32-72(66)80-70-30-21-54(50-17-9-13-46(3)35-50)39-64(70)65-40-55(22-31-71(65)80)51-18-10-14-47(4)36-51;1-37-12-18-42(19-13-37)44-22-28-57-53(32-44)49-8-4-6-10-55(49)62(57)46-24-26-48(47-25-16-40(35-60)30-39(47)3)51(34-46)52-31-41(36-61)17-27-58(52)63-56-11-7-5-9-50(56)54-33-45(23-29-59(54)63)43-20-14-38(2)15-21-43/h2*7-43H,1-4H3;4-34H,1-3H3.

What are the key properties of 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile?

9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile has a molecular weight of 2883.43 g/mol, XLogP of 57.69, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-isocyanophenyl]-4-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;4-[2-[5-cyano-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile is sourced from PubChem (CID 160637245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).