11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole

C51H33N5 — CID 168769940

IUPAC11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole
SMILES[2H]c1cc([2H])c2c(c1)c1cc3c(cc1n2-c1ccccc1)c1cc([2H])cc([2H])c1n3-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C51H33N5/c1-4-16-34(17-5-1)36-20-14-22-38(30-36)49-52-50(39-23-15-21-37(31-39)35-18-6-2-7-19-35)54-51(53-49)56-46-29-13-11-27-42(46)44-32-47-43(33-48(44)56)41-26-10-12-28-45(41)55(47)40-24-8-3-9-25-40/h1-33H/i10D,11D,28D,29D
InChIKeyGIRVFBJASWGEGV-RNCJBKRGSA-N
MW719.88 g/mol
LogP12.73
Rot. Bonds6

About 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole

11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole (PubChem CID 168769940) has the molecular formula C51H33N5 and a molecular weight of 719.88 g/mol. Its IUPAC name is 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole
PubChem CID168769940
Molecular FormulaC51H33N5
Molecular Weight719.88 g/mol
Exact Mass719.30
IUPAC Name11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole
SMILES[2H]c1cc([2H])c2c(c1)c1cc3c(cc1n2-c1ccccc1)c1cc([2H])cc([2H])c1n3-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C51H33N5/c1-4-16-34(17-5-1)36-20-14-22-38(30-36)49-52-50(39-23-15-21-37(31-39)35-18-6-2-7-19-35)54-51(53-49)56-46-29-13-11-27-42(46)44-32-47-43(33-48(44)56)41-26-10-12-28-45(41)55(47)40-24-8-3-9-25-40/h1-33H/i10D,11D,28D,29D
InChIKeyGIRVFBJASWGEGV-RNCJBKRGSA-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 ≤ 500719.88
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
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
7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 162424953
7-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164800029
1,2,3,4-tetradeuterio-7-(4-phenylphenyl)-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275449
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-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
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
5-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole;5-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole;11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 167629733
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141

Frequently Asked Questions

What is the IUPAC name of 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 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) is 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole is [2H]c1cc([2H])c2c(c1)c1cc3c(cc1n2-c1ccccc1)c1cc([2H])cc([2H])c1n3-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole?
The InChIKey is GIRVFBJASWGEGV-RNCJBKRGSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-16-34(17-5-1)36-20-14-22-38(30-36)49-52-50(39-23-15-21-37(31-39)35-18-6-2-7-19-35)54-51(53-49)56-46-29-13-11-27-42(46)44-32-47-43(33-48(44)56)41-26-10-12-28-45(41)55(47)40-24-8-3-9-25-40/h1-33H/i10D,11D,28D,29D.
What are the key properties of 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole?
11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole has a molecular weight of 719.88 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 11-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,8,10-tetradeuterio-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 168769940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).