2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine

C49H33N3O — CID 169280939

IUPAC2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4)c4c3oc3c5ccccc5ccc34)n2)cc1
InChIInChI=1S/C49H33N3O/c1-30-17-21-34(22-18-30)47-50-48(35-23-19-31(2)20-24-35)52-49(51-47)43-28-27-40(44-42-26-25-33-10-4-6-15-41(33)45(42)53-46(43)44)37-13-7-12-36(29-37)39-16-8-11-32-9-3-5-14-38(32)39/h3-29H,1-2H3
InChIKeyLSIRAVHJNQWPEU-UHFFFAOYSA-N
MW679.82 g/mol
LogP13.03
Rot. Bonds5

About 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine

2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine (PubChem CID 169280939) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
PubChem CID169280939
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4)c4c3oc3c5ccccc5ccc34)n2)cc1
InChIInChI=1S/C49H33N3O/c1-30-17-21-34(22-18-30)47-50-48(35-23-19-31(2)20-24-35)52-49(51-47)43-28-27-40(44-42-26-25-33-10-4-6-15-41(33)45(42)53-46(43)44)37-13-7-12-36(29-37)39-16-8-11-32-9-3-5-14-38(32)39/h3-29H,1-2H3
InChIKeyLSIRAVHJNQWPEU-UHFFFAOYSA-N
XLogP13.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167424183
2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177278839
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 171754578
2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168721799
2-[7-(25-oxahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166845392
2-(3-methylphenanthren-1-yl)-4-naphthalen-1-yl-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 174232925
4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline
CID 156553824
2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164838475
2-[5-(25-oxahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166845388
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 171754633

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine (CID 169280939) is 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4)c4c3oc3c5ccccc5ccc34)n2)cc1.
What is the InChIKey of 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine?
The InChIKey is LSIRAVHJNQWPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-30-17-21-34(22-18-30)47-50-48(35-23-19-31(2)20-24-35)52-49(51-47)43-28-27-40(44-42-26-25-33-10-4-6-15-41(33)45(42)53-46(43)44)37-13-7-12-36(29-37)39-16-8-11-32-9-3-5-14-38(32)39/h3-29H,1-2H3.
What are the key properties of 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine?
2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 13.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine is sourced from PubChem (CID 169280939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).