2'-[9-(4-carbazol-9-yl-3-pyridinyl)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]

C52H31N5O — CID 146654510

About 2'-[9-(4-carbazol-9-yl-3-pyridinyl)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'-[9-(4-carbazol-9-yl-3-pyridinyl)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 146654510) has the molecular formula C52H31N5O and a molecular weight of 741.85 g/mol. Its IUPAC name is 2'-[9-(4-carbazol-9-yl-3-pyridinyl)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'-[9-(4-carbazol-9-yl-3-pyridinyl)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: 146654510
• Molecular Formula: C52H31N5O
• Molecular Weight: 741.85 g/mol
• Exact Mass: 741.25
• IUPAC Name: 2'-[9-(4-carbazol-9-yl-3-pyridinyl)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: c1ccc2c(c1)Oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cnccc3-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncccc21
• InChI: InChI=1S/C52H31N5O/c1-5-17-42-34(11-1)35-12-2-6-18-43(35)56(42)46-25-28-53-31-47(46)57-44-19-7-3-13-36(44)37-29-32(21-23-45(37)57)33-22-24-49-41(30-33)52(38-14-4-8-20-48(38)58-49)39-15-9-26-54-50(39)51-40(52)16-10-27-55-51/h1-31H
• InChIKey: SRILHGSBBPQWPY-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.85
LogP ≤ 5	12.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2'-[9-(4-carbazol-9-yl-3-pyridinyl)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'-[9-(4-carbazol-9-yl-3-pyridinyl)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 146654510) is 2'-[9-(4-carbazol-9-yl-3-pyridinyl)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'-[9-(4-carbazol-9-yl-3-pyridinyl)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'-[9-(4-carbazol-9-yl-3-pyridinyl)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 c1ccc2c(c1)Oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cnccc3-n3c4ccccc4c4ccccc43)cc1C21c2cccnc2-c2ncccc21.

What is the InChIKey of 2'-[9-(4-carbazol-9-yl-3-pyridinyl)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 SRILHGSBBPQWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5O/c1-5-17-42-34(11-1)35-12-2-6-18-43(35)56(42)46-25-28-53-31-47(46)57-44-19-7-3-13-36(44)37-29-32(21-23-45(37)57)33-22-24-49-41(30-33)52(38-14-4-8-20-48(38)58-49)39-15-9-26-54-50(39)51-40(52)16-10-27-55-51/h1-31H.

What are the key properties of 2'-[9-(4-carbazol-9-yl-3-pyridinyl)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'-[9-(4-carbazol-9-yl-3-pyridinyl)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 741.85 g/mol, XLogP of 12.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[9-(4-carbazol-9-yl-3-pyridinyl)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 146654510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).