1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole

C45H32N2 — CID 176876292

About 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole

1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole (PubChem CID 176876292) has the molecular formula C45H32N2 and a molecular weight of 632.96 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole.

Molecular Properties

• Compound Name: 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole
• PubChem CID: 176876292
• Molecular Formula: C45H32N2
• Molecular Weight: 632.96 g/mol
• Exact Mass: 632.46
• IUPAC Name: 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])c4c([2H])c6c(c([2H])c4n5-c4c([2H])c([2H])c([2H])c([2H])c4[2H])-c4c([2H])c([2H])c([2H])c([2H])c4C6(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c32)c([2H])c1[2H]
• InChI: InChI=1S/C45H32N2/c1-45(2)39-19-11-9-17-33(39)35-28-44-38(27-40(35)45)37-26-30(22-24-43(37)47(44)32-15-7-4-8-16-32)29-21-23-42-36(25-29)34-18-10-12-20-41(34)46(42)31-13-5-3-6-14-31/h3-28H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D
• InChIKey: GSXMVFZFEPBYDY-XUHHBOMLSA-N
• XLogP: 11.85
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.96
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole?

The IUPAC name of 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole (CID 176876292) is 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole.

What is the SMILES notation for 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole?

The canonical SMILES for 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])c4c([2H])c6c(c([2H])c4n5-c4c([2H])c([2H])c([2H])c([2H])c4[2H])-c4c([2H])c([2H])c([2H])c([2H])c4C6(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c32)c([2H])c1[2H].

What is the InChIKey of 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole?

The InChIKey is GSXMVFZFEPBYDY-XUHHBOMLSA-N. The full InChI is InChI=1S/C45H32N2/c1-45(2)39-19-11-9-17-33(39)35-28-44-38(27-40(35)45)37-26-30(22-24-43(37)47(44)32-15-7-4-8-16-32)29-21-23-42-36(25-29)34-18-10-12-20-41(34)46(42)31-13-5-3-6-14-31/h3-28H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D.

What are the key properties of 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole?

1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole has a molecular weight of 632.96 g/mol, XLogP of 11.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,6,7,8,9,10,12-nonadeuterio-2-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-11,11-bis(trideuteriomethyl)indeno[1,2-b]carbazole is sourced from PubChem (CID 176876292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).