1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C46H27N5O — CID 146654499

About 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-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 146654499) has the molecular formula C46H27N5O and a molecular weight of 665.76 g/mol. Its IUPAC name is 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-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: 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-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: 146654499
• Molecular Formula: C46H27N5O
• Molecular Weight: 665.76 g/mol
• Exact Mass: 665.22
• IUPAC Name: 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)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)Oc1cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccncc65)ccc43)c1C21c2cccnc2-c2ncccc21
• InChI: InChI=1S/C46H27N5O/c1-4-15-36-29(10-1)31-22-25-47-27-40(31)50(36)28-20-21-38-32(26-28)30-11-2-5-16-37(30)51(38)39-17-7-19-42-43(39)46(33-12-3-6-18-41(33)52-42)34-13-8-23-48-44(34)45-35(46)14-9-24-49-45/h1-27H
• InChIKey: FXYOBWWTCCBSQW-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.76
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-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 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146654499) is 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-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 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-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 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)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)Oc1cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccncc65)ccc43)c1C21c2cccnc2-c2ncccc21.

What is the InChIKey of 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-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 FXYOBWWTCCBSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5O/c1-4-15-36-29(10-1)31-22-25-47-27-40(31)50(36)28-20-21-38-32(26-28)30-11-2-5-16-37(30)51(38)39-17-7-19-42-43(39)46(33-12-3-6-18-41(33)52-42)34-13-8-23-48-44(34)45-35(46)14-9-24-49-45/h1-27H.

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

1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-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 665.76 g/mol, XLogP of 10.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(3-pyrido[3,4-b]indol-9-ylcarbazol-9-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 146654499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).