2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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]

C65H39N5O — CID 146656062

About 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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]

2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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 146656062) has the molecular formula C65H39N5O and a molecular weight of 906.06 g/mol. Its IUPAC name is 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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: 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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: 146656062
• Molecular Formula: C65H39N5O
• Molecular Weight: 906.06 g/mol
• Exact Mass: 905.32
• IUPAC Name: 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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: c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6cc(-n7c8ccccc8c8ccccc87)ccc6O5)c5cccnc5-c5ncccc54)ccc32)c1
• InChI: InChI=1S/C65H39N5O/c1-6-23-55-45(16-1)46-17-2-7-24-56(46)68(55)42-14-11-15-43(38-42)69-59-27-10-5-20-49(59)50-36-40(28-31-60(50)69)41-29-32-61-53(37-41)65(51-21-12-34-66-63(51)64-52(65)22-13-35-67-64)54-39-44(30-33-62(54)71-61)70-57-25-8-3-18-47(57)48-19-4-9-26-58(48)70/h1-39H
• InChIKey: WUFBSQJZVZNERT-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.06
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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 146656062) is 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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 c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6cc(-n7c8ccccc8c8ccccc87)ccc6O5)c5cccnc5-c5ncccc54)ccc32)c1.

What is the InChIKey of 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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 WUFBSQJZVZNERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N5O/c1-6-23-55-45(16-1)46-17-2-7-24-56(46)68(55)42-14-11-15-43(38-42)69-59-27-10-5-20-49(59)50-36-40(28-31-60(50)69)41-29-32-61-53(37-41)65(51-21-12-34-66-63(51)64-52(65)22-13-35-67-64)54-39-44(30-33-62(54)71-61)70-57-25-8-3-18-47(57)48-19-4-9-26-58(48)70/h1-39H.

What are the key properties of 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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]?

2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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 906.06 g/mol, XLogP of 15.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)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 146656062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).