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

C46H27N5O — CID 146654809

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

4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146654809) has the molecular formula C46H27N5O and a molecular weight of 665.76 g/mol. Its IUPAC name is 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[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: 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• PubChem CID: 146654809
• Molecular Formula: C46H27N5O
• Molecular Weight: 665.76 g/mol
• Exact Mass: 665.22
• IUPAC Name: 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• SMILES: c1cnc2c(c1)C1(c3cccnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccncc43)cccc21
• InChI: InChI=1S/C46H27N5O/c1-4-18-36-28(11-1)29-12-2-5-19-37(29)50(36)39-21-7-14-34-44(39)52-45-35(46(34)32-16-9-24-48-42(32)43-33(46)17-10-25-49-43)15-8-22-40(45)51-38-20-6-3-13-30(38)31-23-26-47-27-41(31)51/h1-27H
• InChIKey: KYDZWIILQYJHJS-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 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[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 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146654809) is 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[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 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[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 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1cnc2c(c1)C1(c3cccnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccncc43)cccc21.

What is the InChIKey of 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

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

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

4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[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 4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[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 146654809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).