2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C50H37N3O2 — CID 170143078

IUPAC2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCOc1ccc2c(c1-c1ccc(-c3ccc4c5c(oc4c3)CCC=C5c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc1)C=CCC2
InChIInChI=1S/C50H37N3O2/c1-54-43-30-28-35-13-8-9-16-40(35)46(43)36-23-19-34(20-24-36)39-27-29-41-45(31-39)55-44-18-10-17-42(47(41)44)50-52-48(37-14-6-3-7-15-37)51-49(53-50)38-25-21-33(22-26-38)32-11-4-2-5-12-32/h2-7,9,11-12,14-17,19-31H,8,10,13,18H2,1H3
InChIKeyMKNXWMHYPJPNER-UHFFFAOYSA-N
MW711.87 g/mol
LogP12.30
Rot. Bonds7

About 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170143078) has the molecular formula C50H37N3O2 and a molecular weight of 711.87 g/mol. Its IUPAC name is 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170143078
Molecular FormulaC50H37N3O2
Molecular Weight711.87 g/mol
Exact Mass711.29
IUPAC Name2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCOc1ccc2c(c1-c1ccc(-c3ccc4c5c(oc4c3)CCC=C5c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc1)C=CCC2
InChIInChI=1S/C50H37N3O2/c1-54-43-30-28-35-13-8-9-16-40(35)46(43)36-23-19-34(20-24-36)39-27-29-41-45(31-39)55-44-18-10-17-42(47(41)44)50-52-48(37-14-6-3-7-15-37)51-49(53-50)38-25-21-33(22-26-38)32-11-4-2-5-12-32/h2-7,9,11-12,14-17,19-31H,8,10,13,18H2,1H3
InChIKeyMKNXWMHYPJPNER-UHFFFAOYSA-N
XLogP12.30
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.87
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170226014
2-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170229357
2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170228629
2-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-4-(7-naphtho[2,1-b][1]benzofuran-9-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170231123
3-phenyl-9-[9-(4-phenylquinazolin-2-yl)-6,7-dihydrodibenzofuran-3-yl]carbazole
CID 146334370
2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166656528
2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167007605
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine
CID 170009814
6-[4-(10-phenylanthracen-9-yl)phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene
CID 163586642

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 170143078) is 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is COc1ccc2c(c1-c1ccc(-c3ccc4c5c(oc4c3)CCC=C5c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc1)C=CCC2.
What is the InChIKey of 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is MKNXWMHYPJPNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3O2/c1-54-43-30-28-35-13-8-9-16-40(35)46(43)36-23-19-34(20-24-36)39-27-29-41-45(31-39)55-44-18-10-17-42(47(41)44)50-52-48(37-14-6-3-7-15-37)51-49(53-50)38-25-21-33(22-26-38)32-11-4-2-5-12-32/h2-7,9,11-12,14-17,19-31H,8,10,13,18H2,1H3.
What are the key properties of 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 711.87 g/mol, XLogP of 12.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170143078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).