4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline

C48H38N4O — CID 146489182

IUPAC4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline
SMILESCC1C=Cc2c(cccc2C2NC3=C(c4c2oc2ccccc42)C(C)CC=C3c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C1
InChIInChI=1S/C48H38N4O/c1-29-20-26-36-35(28-29)16-11-18-38(36)44-45-42(39-17-9-10-19-40(39)53-45)41-30(2)21-27-37(43(41)49-44)31-22-24-34(25-23-31)48-51-46(32-12-5-3-6-13-32)50-47(52-48)33-14-7-4-8-15-33/h3-20,22-27,29-30,44,49H,21,28H2,1-2H3
InChIKeyGJHWJJVJYFSRFY-UHFFFAOYSA-N
MW686.86 g/mol
LogP11.35
Rot. Bonds5

About 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline (PubChem CID 146489182) has the molecular formula C48H38N4O and a molecular weight of 686.86 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline
PubChem CID146489182
Molecular FormulaC48H38N4O
Molecular Weight686.86 g/mol
Exact Mass686.30
IUPAC Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline
SMILESCC1C=Cc2c(cccc2C2NC3=C(c4c2oc2ccccc42)C(C)CC=C3c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C1
InChIInChI=1S/C48H38N4O/c1-29-20-26-36-35(28-29)16-11-18-38(36)44-45-42(39-17-9-10-19-40(39)53-45)41-30(2)21-27-37(43(41)49-44)31-22-24-34(25-23-31)48-51-46(32-12-5-3-6-13-32)50-47(52-48)33-14-7-4-8-15-33/h3-20,22-27,29-30,44,49H,21,28H2,1-2H3
InChIKeyGJHWJJVJYFSRFY-UHFFFAOYSA-N
XLogP11.35
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 511.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline with MolForge

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Related Compounds

2,8-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo[b,d]furan
CID 122675631
2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 15022790
6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 15022803
6-(1-fluoroethyl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 15022804
N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-4-(2-methylpropylideneamino)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 57001549
2-N-[1-(4,6-dimethyl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 57020566
N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
CID 57027929
2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 57052645
N-[4-[1-(4,6-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
CID 57056669
2-N-[1-(6,7-dimethyl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 57136619
2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
CID 57173760
2-N-[1-(6,7-dimethyl-1-benzofuran-2-yl)ethyl]-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
CID 57196470

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline (CID 146489182) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline is CC1C=Cc2c(cccc2C2NC3=C(c4c2oc2ccccc42)C(C)CC=C3c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C1.
What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline?
The InChIKey is GJHWJJVJYFSRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N4O/c1-29-20-26-36-35(28-29)16-11-18-38(36)44-45-42(39-17-9-10-19-40(39)53-45)41-30(2)21-27-37(43(41)49-44)31-22-24-34(25-23-31)48-51-46(32-12-5-3-6-13-32)50-47(52-48)33-14-7-4-8-15-33/h3-20,22-27,29-30,44,49H,21,28H2,1-2H3.
What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline?
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline has a molecular weight of 686.86 g/mol, XLogP of 11.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 146489182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).