9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole

C165H88F3N13O4S2 — CID 158828017

About 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole

9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 158828017) has the molecular formula C165H88F3N13O4S2 and a molecular weight of 2437.73 g/mol. Its IUPAC name is 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

• Compound Name: 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole
• PubChem CID: 158828017
• Molecular Formula: C165H88F3N13O4S2
• Molecular Weight: 2437.73 g/mol
• Exact Mass: 2435.65
• IUPAC Name: 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole
• SMILES: Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-n4c5ccc(C#N)cc5c5cc(C(F)(F)F)ccc54)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4oc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2sc3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C49H26N2O3.C44H23N3S2.C40H21F3N4O.C32H18N4/c1-50-32-14-17-43-37(26-32)36-22-28(10-16-42(36)51(43)33-15-21-49-41(27-33)35-7-3-5-9-45(35)53-49)30-12-19-47-39(24-30)40-25-31(13-20-48(40)54-47)29-11-18-46-38(23-29)34-6-2-4-8-44(34)52-46;1-46-31-12-15-40-35(23-31)34-19-26(25-45)9-14-39(34)47(40)32-13-18-44-38(24-32)37-22-30(11-17-43(37)49-44)28-6-4-5-27(20-28)29-10-16-42-36(21-29)33-7-2-3-8-41(33)48-42;1-22-2-8-34-28(14-22)29-15-23(20-44)3-9-35(29)46(34)26-6-12-38-32(18-26)33-19-27(7-13-39(33)48-38)47-36-10-4-24(21-45)16-30(36)31-17-25(40(41,42)43)5-11-37(31)47;1-33-21-12-15-30-26(18-21)27-19-22(34-2)13-16-31(27)36(30)24-14-17-32-28(20-24)25-10-6-7-11-29(25)35(32)23-8-4-3-5-9-23/h2-27H;2-24H;2-19H,1H3;3-20H
• InChIKey: IWRMOWWKSIJSNN-UHFFFAOYSA-N
• XLogP: 47.48
• TPSA: 170.95 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2437.73
LogP ≤ 5	47.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole?

The IUPAC name of 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole (CID 158828017) is 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole.

What is the SMILES notation for 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole?

The canonical SMILES for 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole is Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-n4c5ccc(C#N)cc5c5cc(C(F)(F)F)ccc54)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4oc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2sc3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.

What is the InChIKey of 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole?

The InChIKey is IWRMOWWKSIJSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H26N2O3.C44H23N3S2.C40H21F3N4O.C32H18N4/c1-50-32-14-17-43-37(26-32)36-22-28(10-16-42(36)51(43)33-15-21-49-41(27-33)35-7-3-5-9-45(35)53-49)30-12-19-47-39(24-30)40-25-31(13-20-48(40)54-47)29-11-18-46-38(23-29)34-6-2-4-8-44(34)52-46;1-46-31-12-15-40-35(23-31)34-19-26(25-45)9-14-39(34)47(40)32-13-18-44-38(24-32)37-22-30(11-17-43(37)49-44)28-6-4-5-27(20-28)29-10-16-42-36(21-29)33-7-2-3-8-41(33)48-42;1-22-2-8-34-28(14-22)29-15-23(20-44)3-9-35(29)46(34)26-6-12-38-32(18-26)33-19-27(7-13-39(33)48-38)47-36-10-4-24(21-45)16-30(36)31-17-25(40(41,42)43)5-11-37(31)47;1-33-21-12-15-30-26(18-21)27-19-22(34-2)13-16-31(27)36(30)24-14-17-32-28(20-24)25-10-6-7-11-29(25)35(32)23-8-4-3-5-9-23/h2-27H;2-24H;2-19H,1H3;3-20H.

What are the key properties of 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole?

9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2437.73 g/mol, XLogP of 47.48, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-[3-cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 158828017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).