12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole

C54H34N8 — CID 169037360

IUPAC12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])nc(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])n7)c6c54)cc3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C54H34N8/c1-5-17-35(18-6-1)49-55-50(36-19-7-2-8-20-36)57-51(56-49)39-29-31-40(32-30-39)61-45-27-15-13-25-41(45)43-33-34-44-42-26-14-16-28-46(42)62(48(44)47(43)61)54-59-52(37-21-9-3-10-22-37)58-53(60-54)38-23-11-4-12-24-38/h1-34H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D
InChIKeyBQPAYZFBMHUZHH-MGGQDGJGSA-N
MW815.04 g/mol
LogP12.59
Rot. Bonds7

About 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole

12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole (PubChem CID 169037360) has the molecular formula C54H34N8 and a molecular weight of 815.04 g/mol. Its IUPAC name is 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
PubChem CID169037360
Molecular FormulaC54H34N8
Molecular Weight815.04 g/mol
Exact Mass814.42
IUPAC Name12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])nc(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])n7)c6c54)cc3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C54H34N8/c1-5-17-35(18-6-1)49-55-50(36-19-7-2-8-20-36)57-51(56-49)39-29-31-40(32-30-39)61-45-27-15-13-25-41(45)43-33-34-44-42-26-14-16-28-46(42)62(48(44)47(43)61)54-59-52(37-21-9-3-10-22-37)58-53(60-54)38-23-11-4-12-24-38/h1-34H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D
InChIKeyBQPAYZFBMHUZHH-MGGQDGJGSA-N
XLogP12.59
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.04
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]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

12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 162425024
12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 164847563
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-11-(2,3,5,6-tetradeuteriophenyl)indolo[2,3-a]carbazole
CID 171752168
5,6-dideuterio-12-[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]-11-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole
CID 171752177
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 162424954
12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 162424989
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 162424962
3,8-dideuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 140825312
12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 172513324
11-[3-(2,3,4,5,6-pentadeuteriophenyl)-4-(2,3,4,5-tetradeuterio-6-methylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169297822
12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(9,9-dimethylfluoren-2-yl)indolo[2,3-a]carbazole
CID 162425061

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole (CID 169037360) is 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])nc(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])n7)c6c54)cc3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].
What is the InChIKey of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole?
The InChIKey is BQPAYZFBMHUZHH-MGGQDGJGSA-N. The full InChI is InChI=1S/C54H34N8/c1-5-17-35(18-6-1)49-55-50(36-19-7-2-8-20-36)57-51(56-49)39-29-31-40(32-30-39)61-45-27-15-13-25-41(45)43-33-34-44-42-26-14-16-28-46(42)62(48(44)47(43)61)54-59-52(37-21-9-3-10-22-37)58-53(60-54)38-23-11-4-12-24-38/h1-34H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D.
What are the key properties of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole?
12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 815.04 g/mol, XLogP of 12.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 169037360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).