1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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

C139H92N12 — CID 165103717

About 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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

1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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 (PubChem CID 165103717) has the molecular formula C139H92N12 and a molecular weight of 2013.86 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-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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.

Molecular Properties

• Compound Name: 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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
• PubChem CID: 165103717
• Molecular Formula: C139H92N12
• Molecular Weight: 2013.86 g/mol
• Exact Mass: 2012.28
• IUPAC Name: 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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
• 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])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c4c(c([2H])c32)c2c([2H])c([2H])c([2H])c([2H])c2n4-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c(C)c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c4c(c([2H])c32)c2c([2H])c([2H])c([2H])c([2H])c2n4-c2nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c(C)c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3n2)c([2H])c1[2H]
• InChI: InChI=1S/C49H32N4.2C45H30N4/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;1-29-19-21-30(22-20-29)44-36-15-5-8-16-39(36)46-45(47-44)31-23-25-33(26-24-31)49-41-18-10-7-14-35(41)38-27-42-37(28-43(38)49)34-13-6-9-17-40(34)48(42)32-11-3-2-4-12-32;1-29-19-21-30(22-20-29)31-23-25-32(26-24-31)44-36-15-5-8-16-39(36)46-45(47-44)49-41-18-10-7-14-35(41)38-27-42-37(28-43(38)49)34-13-6-9-17-40(34)48(42)33-11-3-2-4-12-33/h2-30H,1H3;2*2-28H,1H3/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;2*2D,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: YTZABOYPXDFYCD-YHXBKKJNSA-N
• XLogP: 35.55
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.86
LogP ≤ 5	35.55
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-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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?

The IUPAC name of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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 (CID 165103717) is 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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.

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-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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?

The canonical SMILES for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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 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])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c4c(c([2H])c32)c2c([2H])c([2H])c([2H])c([2H])c2n4-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c(C)c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c4c(c([2H])c32)c2c([2H])c([2H])c([2H])c([2H])c2n4-c2nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c(C)c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3n2)c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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?

The InChIKey is YTZABOYPXDFYCD-YHXBKKJNSA-N. The full InChI is InChI=1S/C49H32N4.2C45H30N4/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;1-29-19-21-30(22-20-29)44-36-15-5-8-16-39(36)46-45(47-44)31-23-25-33(26-24-31)49-41-18-10-7-14-35(41)38-27-42-37(28-43(38)49)34-13-6-9-17-40(34)48(42)32-11-3-2-4-12-32;1-29-19-21-30(22-20-29)31-23-25-32(26-24-31)44-36-15-5-8-16-39(36)46-45(47-44)49-41-18-10-7-14-35(41)38-27-42-37(28-43(38)49)34-13-6-9-17-40(34)48(42)33-11-3-2-4-12-33/h2-30H,1H3;2*2-28H,1H3/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;2*2D,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 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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?

1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-5-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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 has a molecular weight of 2013.86 g/mol, XLogP of 35.55, 12 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-[5,6,7,8-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]quinazolin-2-yl]indolo[3,2-b]carbazole;1,2,3,4,6,7,8,9,10,12-decadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-11-[2,3,5,6-tetradeuterio-4-[5,6,7,8-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]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 is sourced from PubChem (CID 165103717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).