2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine

C45H37N3 — CID 144775601

IUPAC2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\c1c(C)c(C)c(/C=C\C)c2cc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc12
InChIInChI=1S/C45H37N3/c1-5-16-39-30(3)31(4)40(17-6-2)42-29-35(24-25-41(39)42)37-26-36(32-18-10-7-11-19-32)27-38(28-37)45-47-43(33-20-12-8-13-21-33)46-44(48-45)34-22-14-9-15-23-34/h5-29H,1-4H3/b16-5-,17-6-
InChIKeyLNIVNQCOOJWTIJ-KRXAGUMUSA-N
MW619.81 g/mol
LogP12.04
Rot. Bonds7

About 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 144775601) has the molecular formula C45H37N3 and a molecular weight of 619.81 g/mol. Its IUPAC name is 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID144775601
Molecular FormulaC45H37N3
Molecular Weight619.81 g/mol
Exact Mass619.30
IUPAC Name2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\c1c(C)c(C)c(/C=C\C)c2cc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc12
InChIInChI=1S/C45H37N3/c1-5-16-39-30(3)31(4)40(17-6-2)42-29-35(24-25-41(39)42)37-26-36(32-18-10-7-11-19-32)27-38(28-37)45-47-43(33-20-12-8-13-21-33)46-44(48-45)34-22-14-9-15-23-34/h5-29H,1-4H3/b16-5-,17-6-
InChIKeyLNIVNQCOOJWTIJ-KRXAGUMUSA-N
XLogP12.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
2-[3-(3,5-dimethylphenyl)-5-triphenylen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 163432830
ethane;2-[3-[9-methyl-10-[(Z)-prop-1-enyl]-7,8-dihydrophenanthren-3-yl]phenyl]-4,6-diphenylpyrimidine
CID 145193778
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166571456
2-(3,5-diphenylphenyl)-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160680702
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606668
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine (CID 144775601) is 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine is C/C=C\c1c(C)c(C)c(/C=C\C)c2cc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc12.
What is the InChIKey of 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LNIVNQCOOJWTIJ-KRXAGUMUSA-N. The full InChI is InChI=1S/C45H37N3/c1-5-16-39-30(3)31(4)40(17-6-2)42-29-35(24-25-41(39)42)37-26-36(32-18-10-7-11-19-32)27-38(28-37)45-47-43(33-20-12-8-13-21-33)46-44(48-45)34-22-14-9-15-23-34/h5-29H,1-4H3/b16-5-,17-6-.
What are the key properties of 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 619.81 g/mol, XLogP of 12.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 144775601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).