2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C106H62N8O2 — CID 146655558

About 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146655558) has the molecular formula C106H62N8O2 and a molecular weight of 1479.72 g/mol. Its IUPAC name is 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]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: 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• PubChem CID: 146655558
• Molecular Formula: C106H62N8O2
• Molecular Weight: 1479.72 g/mol
• Exact Mass: 1478.50
• IUPAC Name: 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• SMILES: c1ccc2c(c1)Oc1ccc(-c3ccc4c(c3)c3ccc(-c5cccc6c5c5ccccc5n6-c5ccc(-n6c7ccccc7c7ccccc76)cc5-c5ccc6c(c5)C5(c7ccccc7O6)c6cccnc6-c6ncccc65)cc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1C21c2cccnc2-c2ncccc21
• InChI: InChI=1S/C106H62N8O2/c1-8-32-87-71(20-1)72-21-2-9-33-88(72)111(87)67-44-46-68(47-45-67)112-93-50-41-63(64-42-52-98-85(59-64)105(79-26-6-13-38-96(79)115-98)81-28-16-54-107-101(81)102-82(105)29-17-55-108-102)58-78(93)75-49-40-66(61-95(75)112)70-25-15-37-94-100(70)76-24-5-12-36-91(76)114(94)92-51-48-69(113-89-34-10-3-22-73(89)74-23-4-11-35-90(74)113)62-77(92)65-43-53-99-86(60-65)106(80-27-7-14-39-97(80)116-99)83-30-18-56-109-103(83)104-84(106)31-19-57-110-104/h1-62H
• InChIKey: XQKSUEBWCNCGNK-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1479.72
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]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 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146655558) is 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]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 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]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 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1ccc2c(c1)Oc1ccc(-c3ccc4c(c3)c3ccc(-c5cccc6c5c5ccccc5n6-c5ccc(-n6c7ccccc7c7ccccc76)cc5-c5ccc6c(c5)C5(c7ccccc7O6)c6cccnc6-c6ncccc65)cc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1C21c2cccnc2-c2ncccc21.

What is the InChIKey of 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]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 XQKSUEBWCNCGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N8O2/c1-8-32-87-71(20-1)72-21-2-9-33-88(72)111(87)67-44-46-68(47-45-67)112-93-50-41-63(64-42-52-98-85(59-64)105(79-26-6-13-38-96(79)115-98)81-28-16-54-107-101(81)102-82(105)29-17-55-108-102)58-78(93)75-49-40-66(61-95(75)112)70-25-15-37-94-100(70)76-24-5-12-36-91(76)114(94)92-51-48-69(113-89-34-10-3-22-73(89)74-23-4-11-35-90(74)113)62-77(92)65-43-53-99-86(60-65)106(80-27-7-14-39-97(80)116-99)83-30-18-56-109-103(83)104-84(106)31-19-57-110-104/h1-62H.

What are the key properties of 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]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 1479.72 g/mol, XLogP of 25.59, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[5-carbazol-9-yl-2-[4-[9-(4-carbazol-9-ylphenyl)-6-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-ylcarbazol-2-yl]carbazol-9-yl]phenyl]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 146655558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).