5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C76H45N7O — CID 146654531

About 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146654531) has the molecular formula C76H45N7O and a molecular weight of 1072.24 g/mol. Its IUPAC name is 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

• Compound Name: 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• PubChem CID: 146654531
• Molecular Formula: C76H45N7O
• Molecular Weight: 1072.24 g/mol
• Exact Mass: 1071.37
• IUPAC Name: 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• SMILES: c1cnc2c(c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cncc(-n5c6ccccc6c6ccccc65)c4)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
• InChI: InChI=1S/C76H45N7O/c1-8-24-64-52(16-1)53-17-2-9-25-65(53)80(64)48-33-34-60-73(42-48)84-72-36-32-47(39-62(72)76(60)61-23-15-37-78-74(61)75-63(76)41-51(45-79-75)83-68-28-12-5-20-56(68)57-21-6-13-29-69(57)83)46-31-35-71-59(38-46)58-22-7-14-30-70(58)82(71)50-40-49(43-77-44-50)81-66-26-10-3-18-54(66)55-19-4-11-27-67(55)81/h1-45H
• InChIKey: AINNNBHYWDKYFA-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 67.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1072.24
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

The IUPAC name of 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146654531) is 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

What is the SMILES notation for 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

The canonical SMILES for 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1cnc2c(c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cncc(-n5c6ccccc6c6ccccc65)c4)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2.

What is the InChIKey of 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

The InChIKey is AINNNBHYWDKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H45N7O/c1-8-24-64-52(16-1)53-17-2-9-25-65(53)80(64)48-33-34-60-73(42-48)84-72-36-32-47(39-62(72)76(60)61-23-15-37-78-74(61)75-63(76)41-51(45-79-75)83-68-28-12-5-20-56(68)57-21-6-13-29-69(57)83)46-31-35-71-59(38-46)58-22-7-14-30-70(58)82(71)50-40-49(43-77-44-50)81-66-26-10-3-18-54(66)55-19-4-11-27-67(55)81/h1-45H.

What are the key properties of 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] has a molecular weight of 1072.24 g/mol, XLogP of 18.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is sourced from PubChem (CID 146654531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).