9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole

C49H30N8 — CID 176634830

IUPAC9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c(-n4c5ccccc5c5ccncc54)c3-n3c4ccccc4c4cccnc43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c1[2H]
InChIInChI=1S/C49H30N8/c1-2-14-31(15-3-1)46-52-47(54-49(53-46)56-40-23-9-5-16-32(40)33-17-6-10-24-41(33)56)38-20-12-26-43(55-39-22-8-4-18-34(39)36-27-29-50-30-44(36)55)45(38)57-42-25-11-7-19-35(42)37-21-13-28-51-48(37)57/h1-30H/i1D,2D,3D,5D,6D,9D,10D,12D,14D,15D,16D,17D,20D,23D,24D,26D
InChIKeyKFSQLDJQVHIRIX-YLZGPAFNSA-N
MW746.93 g/mol
LogP11.29
Rot. Bonds5

About 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole

9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole (PubChem CID 176634830) has the molecular formula C49H30N8 and a molecular weight of 746.93 g/mol. Its IUPAC name is 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole
PubChem CID176634830
Molecular FormulaC49H30N8
Molecular Weight746.93 g/mol
Exact Mass746.36
IUPAC Name9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c(-n4c5ccccc5c5ccncc54)c3-n3c4ccccc4c4cccnc43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c1[2H]
InChIInChI=1S/C49H30N8/c1-2-14-31(15-3-1)46-52-47(54-49(53-46)56-40-23-9-5-16-32(40)33-17-6-10-24-41(33)56)38-20-12-26-43(55-39-22-8-4-18-34(39)36-27-29-50-30-44(36)55)45(38)57-42-25-11-7-19-35(42)37-21-13-28-51-48(37)57/h1-30H/i1D,2D,3D,5D,6D,9D,10D,12D,14D,15D,16D,17D,20D,23D,24D,26D
InChIKeyKFSQLDJQVHIRIX-YLZGPAFNSA-N
XLogP11.29
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.93
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole with MolForge

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Related Compounds

5,6,7,8-tetradeuterio-9-[2,3,4-trideuterio-5-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(5,6,7,8-tetradeuteriopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole
CID 176634675
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164788520
5-[2,3,4-trideuterio-5-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 176634820
9-[4-(2-carbazol-9-yltetraphenylen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 176765538
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
9-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 168832490
9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole
CID 176634498
9-[2-[4-carbazol-9-yl-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578328
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578357
5-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-7-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-b]carbazole
CID 172513657
5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole
CID 176634562
20-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,5,6,9,10,11,12,15,16,17,18,22,23,24,25-hexadecadeuterio-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 177285032

Frequently Asked Questions

What is the IUPAC name of 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole (CID 176634830) is 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole is [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c(-n4c5ccccc5c5ccncc54)c3-n3c4ccccc4c4cccnc43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c1[2H].
What is the InChIKey of 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
The InChIKey is KFSQLDJQVHIRIX-YLZGPAFNSA-N. The full InChI is InChI=1S/C49H30N8/c1-2-14-31(15-3-1)46-52-47(54-49(53-46)56-40-23-9-5-16-32(40)33-17-6-10-24-41(33)56)38-20-12-26-43(55-39-22-8-4-18-34(39)36-27-29-50-30-44(36)55)45(38)57-42-25-11-7-19-35(42)37-21-13-28-51-48(37)57/h1-30H/i1D,2D,3D,5D,6D,9D,10D,12D,14D,15D,16D,17D,20D,23D,24D,26D.
What are the key properties of 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole has a molecular weight of 746.93 g/mol, XLogP of 11.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3,4-trideuterio-5-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-pyrido[2,3-b]indol-9-ylphenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 176634830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).