1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole

C139H88N12 — CID 165109938

About 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole

1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole (PubChem CID 165109938) has the molecular formula C139H88N12 and a molecular weight of 1985.68 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole
• PubChem CID: 165109938
• Molecular Formula: C139H88N12
• Molecular Weight: 1985.68 g/mol
• Exact Mass: 1984.10
• IUPAC Name: 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(-c4c([2H])c([2H])c5c([2H])c(C)c([2H])c([2H])c5c4[2H])nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c6c(c([2H])c54)c4c([2H])c([2H])c([2H])c([2H])c4n6-c4c([2H])c([2H])c([2H])c([2H])c4[2H])nc3c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1nc(-c2ccc3ccccc3c2)c2cc(-c3ccccc3)ccc2n1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1nc(-c2ccc3ccccc3c2)c2ccccc2n1
• InChI: InChI=1S/C49H32N4.C48H30N4.C42H26N4/c1-31-20-21-34-27-36(23-22-33(34)26-31)48-40-25-24-35(32-12-4-2-5-13-32)28-43(40)50-49(51-48)53-45-19-11-9-17-39(45)42-29-46-41(30-47(42)53)38-16-8-10-18-44(38)52(46)37-14-6-3-7-15-37;1-2-12-31(13-3-1)34-24-26-42-41(29-34)47(35-23-22-32-14-4-5-15-33(32)28-35)50-48(49-42)52-45-21-11-8-18-39(45)40-30-36(25-27-46(40)52)51-43-19-9-6-16-37(43)38-17-7-10-20-44(38)51;1-2-12-28-25-29(22-21-27(28)11-1)41-34-16-3-7-17-36(34)43-42(44-41)46-39-20-10-6-15-33(39)35-26-30(23-24-40(35)46)45-37-18-8-4-13-31(37)32-14-5-9-19-38(32)45/h2-30H,1H3;1-30H;1-26H/i2D,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,29D,30D;6D,7D,8D,9D,10D,11D,16D,17D,18D,19D,20D,21D,25D,27D,30D;4D,5D,6D,8D,9D,10D,13D,14D,15D,18D,19D,20D,23D,24D,26D
• InChIKey: ZTUJIEMRQQIBAI-YNFDGKKASA-N
• XLogP: 35.58
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1985.68
LogP ≤ 5	35.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole?

The IUPAC name of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole (CID 165109938) is 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole.

What is the SMILES notation for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole?

The canonical SMILES for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(-c4c([2H])c([2H])c5c([2H])c(C)c([2H])c([2H])c5c4[2H])nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c6c(c([2H])c54)c4c([2H])c([2H])c([2H])c([2H])c4n6-c4c([2H])c([2H])c([2H])c([2H])c4[2H])nc3c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1nc(-c2ccc3ccccc3c2)c2cc(-c3ccccc3)ccc2n1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1nc(-c2ccc3ccccc3c2)c2ccccc2n1.

What is the InChIKey of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole?

The InChIKey is ZTUJIEMRQQIBAI-YNFDGKKASA-N. The full InChI is InChI=1S/C49H32N4.C48H30N4.C42H26N4/c1-31-20-21-34-27-36(23-22-33(34)26-31)48-40-25-24-35(32-12-4-2-5-13-32)28-43(40)50-49(51-48)53-45-19-11-9-17-39(45)42-29-46-41(30-47(42)53)38-16-8-10-18-44(38)52(46)37-14-6-3-7-15-37;1-2-12-31(13-3-1)34-24-26-42-41(29-34)47(35-23-22-32-14-4-5-15-33(32)28-35)50-48(49-42)52-45-21-11-8-18-39(45)40-30-36(25-27-46(40)52)51-43-19-9-6-16-37(43)38-17-7-10-20-44(38)51;1-2-12-28-25-29(22-21-27(28)11-1)41-34-16-3-7-17-36(34)43-42(44-41)46-39-20-10-6-15-33(39)35-26-30(23-24-40(35)46)45-37-18-8-4-13-31(37)32-14-5-9-19-38(32)45/h2-30H,1H3;1-30H;1-26H/i2D,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,29D,30D;6D,7D,8D,9D,10D,11D,16D,17D,18D,19D,20D,21D,25D,27D,30D;4D,5D,6D,8D,9D,10D,13D,14D,15D,18D,19D,20D,23D,24D,26D.

What are the key properties of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole?

1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole has a molecular weight of 1985.68 g/mol, XLogP of 35.58, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,8-trideuterio-4-(1,3,4,5,7,8-hexadeuterio-6-methylnaphthalen-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-yl-6-phenylquinazolin-2-yl)carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 165109938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).