9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile

C146H80F6N14 — CID 158364853

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

9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile (PubChem CID 158364853) has the molecular formula C146H80F6N14 and a molecular weight of 2144.33 g/mol. Its IUPAC name is 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile
• PubChem CID: 158364853
• Molecular Formula: C146H80F6N14
• Molecular Weight: 2144.33 g/mol
• Exact Mass: 2142.66
• IUPAC Name: 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile
• SMILES: [C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cccc([N+]#[C-])c2-c2c(-c3cc(C)cc(C(F)(F)F)c3)cccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc([N+]#[C-])c4)ccc32)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3[N+]#[C-])ccc1n2-c1cccc([N+]#[C-])c1-c1c(-c2cc(C)cc(C(F)(F)F)c2)cccc1-n1c2ccc(-c3ccccc3[N+]#[C-])cc2c2cc(-c3ccccc3[N+]#[C-])ccc21
• InChI: InChI=1S/2C73H40F3N7/c1-44-37-49(39-50(38-44)73(74,75)76)55-21-15-27-69(82-65-33-29-45(51-17-7-11-22-60(51)77-2)40-56(65)57-41-46(30-34-66(57)82)52-18-8-12-23-61(52)78-3)71(55)72-64(81-6)26-16-28-70(72)83-67-35-31-47(53-19-9-13-24-62(53)79-4)42-58(67)59-43-48(32-36-68(59)83)54-20-10-14-25-63(54)80-5;1-44-31-55(35-56(32-44)73(74,75)76)59-19-9-21-69(82-65-27-23-51(47-13-5-11-45(33-47)42-77)38-60(65)62-40-53(25-29-66(62)82)49-15-7-17-57(36-49)79-2)71(59)72-64(81-4)20-10-22-70(72)83-67-28-24-52(48-14-6-12-46(34-48)43-78)39-61(67)63-41-54(26-30-68(63)83)50-16-8-18-58(37-50)80-3/h7-43H,1H3;5-41H,1H3
• InChIKey: GTXHSAFUVSROKT-UHFFFAOYSA-N
• XLogP: 42.57
• TPSA: 102.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2144.33
LogP ≤ 5	42.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile?

The IUPAC name of 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile (CID 158364853) is 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile.

What is the SMILES notation for 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile?

The canonical SMILES for 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile is [C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cccc([N+]#[C-])c2-c2c(-c3cc(C)cc(C(F)(F)F)c3)cccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc([N+]#[C-])c4)ccc32)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3[N+]#[C-])ccc1n2-c1cccc([N+]#[C-])c1-c1c(-c2cc(C)cc(C(F)(F)F)c2)cccc1-n1c2ccc(-c3ccccc3[N+]#[C-])cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.

What is the InChIKey of 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile?

The InChIKey is GTXHSAFUVSROKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C73H40F3N7/c1-44-37-49(39-50(38-44)73(74,75)76)55-21-15-27-69(82-65-33-29-45(51-17-7-11-22-60(51)77-2)40-56(65)57-41-46(30-34-66(57)82)52-18-8-12-23-61(52)78-3)71(55)72-64(81-6)26-16-28-70(72)83-67-35-31-47(53-19-9-13-24-62(53)79-4)42-58(67)59-43-48(32-36-68(59)83)54-20-10-14-25-63(54)80-5;1-44-31-55(35-56(32-44)73(74,75)76)59-19-9-21-69(82-65-27-23-51(47-13-5-11-45(33-47)42-77)38-60(65)62-40-53(25-29-66(62)82)49-15-7-17-57(36-49)79-2)71(59)72-64(81-4)20-10-22-70(72)83-67-28-24-52(48-14-6-12-46(34-48)43-78)39-61(67)63-41-54(26-30-68(63)83)50-16-8-18-58(37-50)80-3/h7-43H,1H3;5-41H,1H3.

What are the key properties of 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile?

9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile has a molecular weight of 2144.33 g/mol, XLogP of 42.57, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-isocyanophenyl)carbazole;3-[9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile is sourced from PubChem (CID 158364853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).