2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole

C39H25N5 — CID 164847643

IUPAC2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILES[2H]c1cc([2H])c2c(c1)c1c([2H])c3c4cc([2H])cc([2H])c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c([2H])c1n2-c1ccccc1
InChIInChI=1S/C39H25N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-31-29-20-10-12-22-33(29)43(35(31)25-36(32)44)28-18-8-3-9-19-28/h1-25H/i10D,11D,22D,23D,24D,25D
InChIKeyBCGULYJGWKTPKY-QBGMVVKMSA-N
MW569.70 g/mol
LogP9.40
Rot. Bonds4

About 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole

2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 164847643) has the molecular formula C39H25N5 and a molecular weight of 569.70 g/mol. Its IUPAC name is 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID164847643
Molecular FormulaC39H25N5
Molecular Weight569.70 g/mol
Exact Mass569.25
IUPAC Name2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILES[2H]c1cc([2H])c2c(c1)c1c([2H])c3c4cc([2H])cc([2H])c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c([2H])c1n2-c1ccccc1
InChIInChI=1S/C39H25N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-31-29-20-10-12-22-33(29)43(35(31)25-36(32)44)28-18-8-3-9-19-28/h1-25H/i10D,11D,22D,23D,24D,25D
InChIKeyBCGULYJGWKTPKY-QBGMVVKMSA-N
XLogP9.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.70
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole
CID 168769940
5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164847710
1,3,4,5,8,10-hexadeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1,3,5,6,8,10-hexadeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1,2,3,4,5,6,7,8,10-nonadeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1,3,4,5,6,7,8,10-octadeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 167603351
4,5,7,16,18,19-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 168770618
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
12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167665612
3,8-dideuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 140825312
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 166047028
2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 164847703
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177268201
1,3,5,6,8,10-hexadeuterio-12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-11-phenylindolo[2,3-a]carbazole
CID 168770617
9-[4-[4-(3-carbazol-9-yl-2,4,5,6-tetradeuteriophenyl)-2,3,5,6-tetradeuteriophenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171467810

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 164847643) is 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole is [2H]c1cc([2H])c2c(c1)c1c([2H])c3c4cc([2H])cc([2H])c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c([2H])c1n2-c1ccccc1.
What is the InChIKey of 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is BCGULYJGWKTPKY-QBGMVVKMSA-N. The full InChI is InChI=1S/C39H25N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-31-29-20-10-12-22-33(29)43(35(31)25-36(32)44)28-18-8-3-9-19-28/h1-25H/i10D,11D,22D,23D,24D,25D.
What are the key properties of 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole has a molecular weight of 569.70 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10,12-hexadeuterio-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 164847643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).