3'-carbazol-9-yl-5-[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 146656046

About 3'-carbazol-9-yl-5-[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]

3'-carbazol-9-yl-5-[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 146656046) has the molecular formula C65H39N5O and a molecular weight of 906.06 g/mol. Its IUPAC name is 3'-carbazol-9-yl-5-[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: 3'-carbazol-9-yl-5-[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: 146656046
• Molecular Formula: C65H39N5O
• Molecular Weight: 906.06 g/mol
• Exact Mass: 905.32
• IUPAC Name: 3'-carbazol-9-yl-5-[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(-c4cnc5c(c4)C4(c6ccccc6Oc6cc(-n7c8ccccc8c8ccccc87)ccc64)c4cccnc4-5)ccc32)c1
• InChI: InChI=1S/C65H39N5O/c1-7-24-55-45(17-1)46-18-2-8-25-56(46)68(55)42-15-13-16-43(37-42)69-59-28-11-5-21-49(59)50-35-40(30-33-60(50)69)41-36-54-64(67-39-41)63-53(23-14-34-66-63)65(54)51-22-6-12-29-61(51)71-62-38-44(31-32-52(62)65)70-57-26-9-3-19-47(57)48-20-4-10-27-58(48)70/h1-39H
• InChIKey: ASWSIQPZVRHYNF-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 3'-carbazol-9-yl-5-[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 3'-carbazol-9-yl-5-[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 146656046) is 3'-carbazol-9-yl-5-[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 3'-carbazol-9-yl-5-[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 3'-carbazol-9-yl-5-[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(-c4cnc5c(c4)C4(c6ccccc6Oc6cc(-n7c8ccccc8c8ccccc87)ccc64)c4cccnc4-5)ccc32)c1.

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

What are the key properties of 3'-carbazol-9-yl-5-[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]?

3'-carbazol-9-yl-5-[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 3'-carbazol-9-yl-5-[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 146656046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).