2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C43H37N3 — CID 145110857

IUPAC2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC=CC1=C(/C=C\C)c2cc(-c3cccc(-c4cccc(C5=NC(c6ccccc6)N=C(c6ccccc6)N5)c4)c3)ccc2C1(C)C
InChIInChI=1S/C43H37N3/c1-5-15-36-37-28-34(24-25-39(37)43(3,4)38(36)6-2)32-21-13-20-31(26-32)33-22-14-23-35(27-33)42-45-40(29-16-9-7-10-17-29)44-41(46-42)30-18-11-8-12-19-30/h5-28,40H,2H2,1,3-4H3,(H,44,45,46)/b15-5-
InChIKeyIGUHIVNGQJZONC-WCSRMQSCSA-N
MW595.79 g/mol
LogP10.32
Rot. Bonds7

About 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 145110857) has the molecular formula C43H37N3 and a molecular weight of 595.79 g/mol. Its IUPAC name is 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID145110857
Molecular FormulaC43H37N3
Molecular Weight595.79 g/mol
Exact Mass595.30
IUPAC Name2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC=CC1=C(/C=C\C)c2cc(-c3cccc(-c4cccc(C5=NC(c6ccccc6)N=C(c6ccccc6)N5)c4)c3)ccc2C1(C)C
InChIInChI=1S/C43H37N3/c1-5-15-36-37-28-34(24-25-39(37)43(3,4)38(36)6-2)32-21-13-20-31(26-32)33-22-14-23-35(27-33)42-45-40(29-16-9-7-10-17-29)44-41(46-42)30-18-11-8-12-19-30/h5-28,40H,2H2,1,3-4H3,(H,44,45,46)/b15-5-
InChIKeyIGUHIVNGQJZONC-WCSRMQSCSA-N
XLogP10.32
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.79
LogP ≤ 510.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703
3-[3-[6-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]aniline
CID 146495382
4-[3-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-2,6-diphenylpyrimidine
CID 134274559
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
CID 174294989
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
CID 137380846
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940
2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 145110857) is 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is C=CC1=C(/C=C\C)c2cc(-c3cccc(-c4cccc(C5=NC(c6ccccc6)N=C(c6ccccc6)N5)c4)c3)ccc2C1(C)C.
What is the InChIKey of 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is IGUHIVNGQJZONC-WCSRMQSCSA-N. The full InChI is InChI=1S/C43H37N3/c1-5-15-36-37-28-34(24-25-39(37)43(3,4)38(36)6-2)32-21-13-20-31(26-32)33-22-14-23-35(27-33)42-45-40(29-16-9-7-10-17-29)44-41(46-42)30-18-11-8-12-19-30/h5-28,40H,2H2,1,3-4H3,(H,44,45,46)/b15-5-.
What are the key properties of 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 595.79 g/mol, XLogP of 10.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 145110857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).