12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole

C51H35N5 — CID 137245677

IUPAC12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(n3c4ccc(-c5ccccc5)cc4c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c43)=N2)cc1
InChIInChI=1S/C51H35N5/c1-6-16-34(17-7-1)38-26-30-45-43(32-38)41-28-29-42-44-33-39(35-18-8-2-9-19-35)27-31-46(44)56(48(42)47(41)55(45)40-24-14-5-15-25-40)51-53-49(36-20-10-3-11-21-36)52-50(54-51)37-22-12-4-13-23-37/h1-33,49H,(H,52,53,54)
InChIKeyAKWHSDDLVOFSPD-UHFFFAOYSA-N
MW717.88 g/mol
LogP12.18
Rot. Bonds5

About 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole

12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole (PubChem CID 137245677) has the molecular formula C51H35N5 and a molecular weight of 717.88 g/mol. Its IUPAC name is 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
PubChem CID137245677
Molecular FormulaC51H35N5
Molecular Weight717.88 g/mol
Exact Mass717.29
IUPAC Name12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(n3c4ccc(-c5ccccc5)cc4c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c43)=N2)cc1
InChIInChI=1S/C51H35N5/c1-6-16-34(17-7-1)38-26-30-45-43(32-38)41-28-29-42-44-33-39(35-18-8-2-9-19-35)27-31-46(44)56(48(42)47(41)55(45)40-24-14-5-15-25-40)51-53-49(36-20-10-3-11-21-36)52-50(54-51)37-22-12-4-13-23-37/h1-33,49H,(H,52,53,54)
InChIKeyAKWHSDDLVOFSPD-UHFFFAOYSA-N
XLogP12.18
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.88
LogP ≤ 512.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 167154477
7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 137214924
11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 167154693
11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 166922878
11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 174276849
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
21-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 136982523
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-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 170138787

Frequently Asked Questions

What is the IUPAC name of 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole (CID 137245677) is 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole is c1ccc(C2=NC(c3ccccc3)NC(n3c4ccc(-c5ccccc5)cc4c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c43)=N2)cc1.
What is the InChIKey of 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole?
The InChIKey is AKWHSDDLVOFSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5/c1-6-16-34(17-7-1)38-26-30-45-43(32-38)41-28-29-42-44-33-39(35-18-8-2-9-19-35)27-31-46(44)56(48(42)47(41)55(45)40-24-14-5-15-25-40)51-53-49(36-20-10-3-11-21-36)52-50(54-51)37-22-12-4-13-23-37/h1-33,49H,(H,52,53,54).
What are the key properties of 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole?
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole has a molecular weight of 717.88 g/mol, XLogP of 12.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 137245677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).