1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole

C35H28N4 — CID 155691078

IUPAC1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole
SMILESC=C(C)c1c(/C=C\C)c2ccccc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C35H28N4/c1-4-14-30-29-21-11-12-22-31(29)39(32(30)24(2)3)28-20-13-19-27(23-28)35-37-33(25-15-7-5-8-16-25)36-34(38-35)26-17-9-6-10-18-26/h4-23H,2H2,1,3H3/b14-4-
InChIKeyMJDQQLDLOZAPDN-CPSFFCFKSA-N
MW504.64 g/mol
LogP8.88
Rot. Bonds6

About 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole (PubChem CID 155691078) has the molecular formula C35H28N4 and a molecular weight of 504.64 g/mol. Its IUPAC name is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole.

Molecular Properties

Compound Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole
PubChem CID155691078
Molecular FormulaC35H28N4
Molecular Weight504.64 g/mol
Exact Mass504.23
IUPAC Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole
SMILESC=C(C)c1c(/C=C\C)c2ccccc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C35H28N4/c1-4-14-30-29-21-11-12-22-31(29)39(32(30)24(2)3)28-20-13-19-27(23-28)35-37-33(25-15-7-5-8-16-25)36-34(38-35)26-17-9-6-10-18-26/h4-23H,2H2,1,3H3/b14-4-
InChIKeyMJDQQLDLOZAPDN-CPSFFCFKSA-N
XLogP8.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole?
The IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole (CID 155691078) is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole.
What is the SMILES notation for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole?
The canonical SMILES for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole is C=C(C)c1c(/C=C\C)c2ccccc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole?
The InChIKey is MJDQQLDLOZAPDN-CPSFFCFKSA-N. The full InChI is InChI=1S/C35H28N4/c1-4-14-30-29-21-11-12-22-31(29)39(32(30)24(2)3)28-20-13-19-27(23-28)35-37-33(25-15-7-5-8-16-25)36-34(38-35)26-17-9-6-10-18-26/h4-23H,2H2,1,3H3/b14-4-.
What are the key properties of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole?
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole has a molecular weight of 504.64 g/mol, XLogP of 8.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole is sourced from PubChem (CID 155691078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).