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

C44H28N2 — CID 172545389

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

1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole (PubChem CID 172545389) has the molecular formula C44H28N2 and a molecular weight of 612.89 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole
• PubChem CID: 172545389
• Molecular Formula: C44H28N2
• Molecular Weight: 612.89 g/mol
• Exact Mass: 612.40
• IUPAC Name: 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole
• SMILES: [2H]c1c([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])c3c([2H])c([2H])c([2H])c([2H])c3c2[2H])c([2H])c([2H])c1-c1c([2H])c([2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H]
• InChI: InChI=1S/C44H28N2/c1-3-11-32-25-34(18-17-29(32)9-1)31-19-22-35(23-20-31)45-41-15-7-5-13-37(41)39-28-44-40(27-43(39)45)38-14-6-8-16-42(38)46(44)36-24-21-30-10-2-4-12-33(30)26-36/h1-28H/i1D,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: WJUGRCKUSMEBHR-XLKZZZAPSA-N
• XLogP: 11.85
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.89
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole?

The IUPAC name of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole (CID 172545389) is 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole.

What is the SMILES notation for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole?

The canonical SMILES for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole is [2H]c1c([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])c3c([2H])c([2H])c([2H])c([2H])c3c2[2H])c([2H])c([2H])c1-c1c([2H])c([2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H].

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

The InChIKey is WJUGRCKUSMEBHR-XLKZZZAPSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-11-32-25-34(18-17-29(32)9-1)31-19-22-35(23-20-31)45-41-15-7-5-13-37(41)39-28-44-40(27-43(39)45)38-14-6-8-16-42(38)46(44)36-24-21-30-10-2-4-12-33(30)26-36/h1-28H/i1D,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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole?

1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 612.89 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-5-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 172545389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).