4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile

C166H88N24O4 — CID 158995169

About 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile

4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile (PubChem CID 158995169) has the molecular formula C166H88N24O4 and a molecular weight of 2482.69 g/mol. Its IUPAC name is 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile.

Molecular Properties

• Compound Name: 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile
• PubChem CID: 158995169
• Molecular Formula: C166H88N24O4
• Molecular Weight: 2482.69 g/mol
• Exact Mass: 2480.74
• IUPAC Name: 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile
• SMILES: [C-]#[N+]c1cc2c3cc(C#N)ccc3n(-c3cccc4c3Oc3ccccc3C43c4cccnc4-c4ncccc43)c2cn1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cccc2c1Oc1c(-n3c4ccccc4c4ccncc43)cccc1C21c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1Oc1c(-n3c4ccccc4c4ccncc43)cccc1C21c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccncc1n2-c1cccc2c1Oc1ccccc1C21c2cccnc2-c2ncccc21
• InChI: InChI=1S/C48H25N7O.C47H26N6O.C36H18N6O.C35H19N5O/c1-49-28-17-19-39-32(25-28)33-26-29(50-2)18-20-40(33)54(39)41-15-5-10-36-46(41)56-47-37(48(36)34-12-7-22-52-44(34)45-35(48)13-8-23-53-45)11-6-16-42(47)55-38-14-4-3-9-30(38)31-21-24-51-27-43(31)55;1-48-28-20-21-39-32(26-28)30-11-3-5-17-38(30)52(39)40-18-6-12-35-45(40)54-46-36(47(35)33-14-8-23-50-43(33)44-34(47)15-9-24-51-44)13-7-19-41(46)53-37-16-4-2-10-29(37)31-22-25-49-27-42(31)53;1-38-32-18-23-22-17-21(19-37)13-14-28(22)42(30(23)20-41-32)29-11-4-8-27-35(29)43-31-12-3-2-7-24(31)36(27)25-9-5-15-39-33(25)34-26(36)10-6-16-40-34;1-36-21-13-14-28-23(19-21)22-15-18-37-20-30(22)40(28)29-11-4-8-27-34(29)41-31-12-3-2-7-24(31)35(27)25-9-5-16-38-32(25)33-26(35)10-6-17-39-33/h3-27H;2-27H;2-18,20H;2-20H
• InChIKey: JQQPKGLKOPRWRG-UHFFFAOYSA-N
• XLogP: 38.57
• TPSA: 266.77 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 6
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2482.69
LogP ≤ 5	38.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile?

The IUPAC name of 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile (CID 158995169) is 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile.

What is the SMILES notation for 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile?

The canonical SMILES for 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile is [C-]#[N+]c1cc2c3cc(C#N)ccc3n(-c3cccc4c3Oc3ccccc3C43c4cccnc4-c4ncccc43)c2cn1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cccc2c1Oc1c(-n3c4ccccc4c4ccncc43)cccc1C21c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1Oc1c(-n3c4ccccc4c4ccncc43)cccc1C21c2cccnc2-c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccncc1n2-c1cccc2c1Oc1ccccc1C21c2cccnc2-c2ncccc21.

What is the InChIKey of 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile?

The InChIKey is JQQPKGLKOPRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H25N7O.C47H26N6O.C36H18N6O.C35H19N5O/c1-49-28-17-19-39-32(25-28)33-26-29(50-2)18-20-40(33)54(39)41-15-5-10-36-46(41)56-47-37(48(36)34-12-7-22-52-44(34)45-35(48)13-8-23-53-45)11-6-16-42(47)55-38-14-4-3-9-30(38)31-21-24-51-27-43(31)55;1-48-28-20-21-39-32(26-28)30-11-3-5-17-38(30)52(39)40-18-6-12-35-45(40)54-46-36(47(35)33-14-8-23-50-43(33)44-34(47)15-9-24-51-44)13-7-19-41(46)53-37-16-4-2-10-29(37)31-22-25-49-27-42(31)53;1-38-32-18-23-22-17-21(19-37)13-14-28(22)42(30(23)20-41-32)29-11-4-8-27-35(29)43-31-12-3-2-7-24(31)36(27)25-9-5-15-39-33(25)34-26(36)10-6-16-40-34;1-36-21-13-14-28-23(19-21)22-15-18-37-20-30(22)40(28)29-11-4-8-27-34(29)41-31-12-3-2-7-24(31)35(27)25-9-5-16-38-32(25)33-26(35)10-6-17-39-33/h3-27H;2-27H;2-18,20H;2-20H.

What are the key properties of 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile?

4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile has a molecular weight of 2482.69 g/mol, XLogP of 38.57, 6 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-(3,6-diisocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(3-isocyanocarbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];4'-(6-isocyanopyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene];3-isocyano-9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylpyrido[3,4-b]indole-6-carbonitrile is sourced from PubChem (CID 158995169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).