1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole

C29H24N4 — CID 144884334

IUPAC1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)n(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(C)cccc12
InChIInChI=1S/C29H24N4/c1-4-13-25-23(5-2)24-19-12-14-20(3)26(24)33(25)29-31-27(21-15-8-6-9-16-21)30-28(32-29)22-17-10-7-11-18-22/h4-19H,2H2,1,3H3/b13-4-
InChIKeyKBZQOLUVTGBRLA-PQMHYQBVSA-N
MW428.54 g/mol
LogP7.13
Rot. Bonds5

About 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole (PubChem CID 144884334) has the molecular formula C29H24N4 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole
PubChem CID144884334
Molecular FormulaC29H24N4
Molecular Weight428.54 g/mol
Exact Mass428.20
IUPAC Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)n(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(C)cccc12
InChIInChI=1S/C29H24N4/c1-4-13-25-23(5-2)24-19-12-14-20(3)26(24)33(25)29-31-27(21-15-8-6-9-16-21)30-28(32-29)22-17-10-7-11-18-22/h4-19H,2H2,1,3H3/b13-4-
InChIKeyKBZQOLUVTGBRLA-PQMHYQBVSA-N
XLogP7.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole with MolForge

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Related Compounds

3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 167157398
7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole
CID 122678080
[4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 174013966
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole
CID 155283440
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane
CID 142568428
2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 135160706
2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
CID 135130837
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-9-phenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-b]carbazole
CID 138534156
3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 139430719
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-ethenyl-6-[(Z)-prop-1-enyl]-24-oxa-4-azahexacyclo[15.7.0.02,10.03,7.011,16.018,23]tetracosa-1(17),2(10),3(7),5,8,11,13,15,18,20,22-undecaene
CID 135234580
1-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-ethenyl-3-[(Z)-prop-1-enyl]benzo[g]indole
CID 154985375
1-[3-[3-[2-chloro-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indole
CID 145369569

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole?
The IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole (CID 144884334) is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole?
The canonical SMILES for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole is C=Cc1c(/C=C\C)n(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(C)cccc12.
What is the InChIKey of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole?
The InChIKey is KBZQOLUVTGBRLA-PQMHYQBVSA-N. The full InChI is InChI=1S/C29H24N4/c1-4-13-25-23(5-2)24-19-12-14-20(3)26(24)33(25)29-31-27(21-15-8-6-9-16-21)30-28(32-29)22-17-10-7-11-18-22/h4-19H,2H2,1,3H3/b13-4-.
What are the key properties of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole?
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole has a molecular weight of 428.54 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 144884334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).