1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole

C51H33N5 — CID 172513632

IUPAC1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cccc(-c7ccccc7)c6)c5c([2H])c43)n2)c([2H])c1[2H]
InChIInChI=1S/C51H33N5/c1-4-15-34(16-5-1)36-27-29-38(30-28-36)50-52-49(37-19-8-3-9-20-37)53-51(54-50)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)40-22-14-21-39(31-40)35-17-6-2-7-18-35/h1-33H/i1D,3D,4D,5D,8D,9D,10D,11D,12D,13D,15D,16D,19D,20D,23D,24D,25D,26D,27D,28D,29D,30D,32D,33D
InChIKeyVBHNMINOPDDOBN-GLOCVNDYSA-N
MW740.01 g/mol
LogP12.73
Rot. Bonds6

About 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole

1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole (PubChem CID 172513632) has the molecular formula C51H33N5 and a molecular weight of 740.01 g/mol. Its IUPAC name is 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole
PubChem CID172513632
Molecular FormulaC51H33N5
Molecular Weight740.01 g/mol
Exact Mass739.42
IUPAC Name1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cccc(-c7ccccc7)c6)c5c([2H])c43)n2)c([2H])c1[2H]
InChIInChI=1S/C51H33N5/c1-4-15-34(16-5-1)36-27-29-38(30-28-36)50-52-49(37-19-8-3-9-20-37)53-51(54-50)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)40-22-14-21-39(31-40)35-17-6-2-7-18-35/h1-33H/i1D,3D,4D,5D,8D,9D,10D,11D,12D,13D,15D,16D,19D,20D,23D,24D,25D,26D,27D,28D,29D,30D,32D,33D
InChIKeyVBHNMINOPDDOBN-GLOCVNDYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.01
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole with MolForge

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Related Compounds

9-[3-[3-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 166046909
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 171420259
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 171420285
9-[3-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164959848
1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 172519979
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172520020
1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[2,3,5,6-tetradeuterio-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171420255
1,2,3,4-tetradeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177113402
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267965
1,2,3,4,5,6,7,8-octadeuterio-9-[3-phenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170536800
1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171420324
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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole?
The IUPAC name of 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole (CID 172513632) is 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole?
The canonical SMILES for 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cccc(-c7ccccc7)c6)c5c([2H])c43)n2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole?
The InChIKey is VBHNMINOPDDOBN-GLOCVNDYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-15-34(16-5-1)36-27-29-38(30-28-36)50-52-49(37-19-8-3-9-20-37)53-51(54-50)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)40-22-14-21-39(31-40)35-17-6-2-7-18-35/h1-33H/i1D,3D,4D,5D,8D,9D,10D,11D,12D,13D,15D,16D,19D,20D,23D,24D,25D,26D,27D,28D,29D,30D,32D,33D.
What are the key properties of 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole?
1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole has a molecular weight of 740.01 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,8,9,10,11,12-decadeuterio-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-(3-phenylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 172513632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).