2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C46H37N3 — CID 144775617

IUPAC2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\c1c(C)cccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc3ccccc3c3c2C=CCC3C)c1
InChIInChI=1S/C46H37N3/c1-4-15-38-30(2)16-13-24-39(38)35-26-36(42-29-34-22-11-12-23-40(34)43-31(3)17-14-25-41(42)43)28-37(27-35)46-48-44(32-18-7-5-8-19-32)47-45(49-46)33-20-9-6-10-21-33/h4-16,18-29,31H,17H2,1-3H3/b15-4-
InChIKeyPAQZCWBSFYCZDL-TVPGTPATSA-N
MW631.82 g/mol
LogP12.22
Rot. Bonds6

About 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 144775617) has the molecular formula C46H37N3 and a molecular weight of 631.82 g/mol. Its IUPAC name is 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID144775617
Molecular FormulaC46H37N3
Molecular Weight631.82 g/mol
Exact Mass631.30
IUPAC Name2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\c1c(C)cccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc3ccccc3c3c2C=CCC3C)c1
InChIInChI=1S/C46H37N3/c1-4-15-38-30(2)16-13-24-39(38)35-26-36(42-29-34-22-11-12-23-40(34)43-31(3)17-14-25-41(42)43)28-37(27-35)46-48-44(32-18-7-5-8-19-32)47-45(49-46)33-20-9-6-10-21-33/h4-16,18-29,31H,17H2,1-3H3/b15-4-
InChIKeyPAQZCWBSFYCZDL-TVPGTPATSA-N
XLogP12.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.82
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[4-(3,4-dimethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4-methyl-3,4-dihydrophenanthrene
CID 143477658
2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 166656832
N-[4-(4-benzo[c]phenanthren-6-yl-6-phenyl-1,3,5-triazin-2-yl)-3-[(Z)-prop-1-enyl]-1-benzofuran-2-yl]methanimine
CID 175614348
2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162132064
2-[3-(3-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 140703499
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2,4-dinaphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165085308
2-[3-(2,4-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 155658951
2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 163629155
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 144775617) is 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is C/C=C\c1c(C)cccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc3ccccc3c3c2C=CCC3C)c1.
What is the InChIKey of 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PAQZCWBSFYCZDL-TVPGTPATSA-N. The full InChI is InChI=1S/C46H37N3/c1-4-15-38-30(2)16-13-24-39(38)35-26-36(42-29-34-22-11-12-23-40(34)43-31(3)17-14-25-41(42)43)28-37(27-35)46-48-44(32-18-7-5-8-19-32)47-45(49-46)33-20-9-6-10-21-33/h4-16,18-29,31H,17H2,1-3H3/b15-4-.
What are the key properties of 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 631.82 g/mol, XLogP of 12.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-5,6-dihydrophenanthren-9-yl)-5-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 144775617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).