5,6'-di(carbazol-9-yl)-2'-[9-(3-carbazol-9-yl-2-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 146654524

About 5,6'-di(carbazol-9-yl)-2'-[9-(3-carbazol-9-yl-2-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-(3-carbazol-9-yl-2-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 146654524) 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-(3-carbazol-9-yl-2-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-(3-carbazol-9-yl-2-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: 146654524
• Molecular Formula: C76H45N7O
• Molecular Weight: 1072.24 g/mol
• Exact Mass: 1071.37
• IUPAC Name: 5,6'-di(carbazol-9-yl)-2'-[9-(3-carbazol-9-yl-2-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: c1cnc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccc(-n7c8ccccc8c8ccccc87)cc6O5)c5cccnc5-c5ncc(-n6c7ccccc7c7ccccc76)cc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C76H45N7O/c1-8-25-62-50(17-1)51-18-2-9-26-63(51)80(62)48-35-36-58-72(44-48)84-71-38-34-47(42-60(71)76(58)59-24-15-39-77-73(59)74-61(76)43-49(45-79-74)81-64-27-10-3-19-52(64)53-20-4-11-28-65(53)81)46-33-37-69-57(41-46)56-23-7-14-31-68(56)83(69)75-70(32-16-40-78-75)82-66-29-12-5-21-54(66)55-22-6-13-30-67(55)82/h1-45H
• InChIKey: ZRTJFZYTDMMIQY-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-(3-carbazol-9-yl-2-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-(3-carbazol-9-yl-2-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 146654524) is 5,6'-di(carbazol-9-yl)-2'-[9-(3-carbazol-9-yl-2-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-(3-carbazol-9-yl-2-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-(3-carbazol-9-yl-2-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 c1cnc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccc(-n7c8ccccc8c8ccccc87)cc6O5)c5cccnc5-c5ncc(-n6c7ccccc7c7ccccc76)cc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1.

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

What are the key properties of 5,6'-di(carbazol-9-yl)-2'-[9-(3-carbazol-9-yl-2-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-(3-carbazol-9-yl-2-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-(3-carbazol-9-yl-2-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 146654524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).