9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile

C83H47N9O — CID 146655733

About 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile

9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile (PubChem CID 146655733) has the molecular formula C83H47N9O and a molecular weight of 1186.35 g/mol. Its IUPAC name is 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile
• PubChem CID: 146655733
• Molecular Formula: C83H47N9O
• Molecular Weight: 1186.35 g/mol
• Exact Mass: 1185.39
• IUPAC Name: 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C83H47N9O/c84-45-49-32-36-75-62(40-49)59-21-7-14-29-73(59)92(75)76-30-15-31-78-80(76)83(64-35-33-51(44-79(64)93-78)88-72-28-13-6-22-60(72)63-41-50(34-37-74(63)88)89-67-23-8-5-20-58(67)61-38-39-85-48-77(61)89)65-42-52(90-68-24-9-1-16-54(68)55-17-2-10-25-69(55)90)46-86-81(65)82-66(83)43-53(47-87-82)91-70-26-11-3-18-56(70)57-19-4-12-27-71(57)91/h1-44,46-48H
• InChIKey: YIFZIALIKTXOGT-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 96.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1186.35
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile?

The IUPAC name of 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile (CID 146655733) is 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile?

The InChIKey is YIFZIALIKTXOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H47N9O/c84-45-49-32-36-75-62(40-49)59-21-7-14-29-73(59)92(75)76-30-15-31-78-80(76)83(64-35-33-51(44-79(64)93-78)88-72-28-13-6-22-60(72)63-41-50(34-37-74(63)88)89-67-23-8-5-20-58(67)61-38-39-85-48-77(61)89)65-42-52(90-68-24-9-1-16-54(68)55-17-2-10-25-69(55)90)46-86-81(65)82-66(83)43-53(47-87-82)91-70-26-11-3-18-56(70)57-19-4-12-27-71(57)91/h1-44,46-48H.

What are the key properties of 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile?

9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile has a molecular weight of 1186.35 g/mol, XLogP of 19.70, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5,11-di(carbazol-9-yl)-6'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 146655733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).