2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine

C45H27N3O — CID 170212090

IUPAC2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2c3ccccc3cc3c2oc2c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cccc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-30(14-3-1)40-36-18-9-8-17-33(36)27-39-37-19-10-20-38(41(37)49-42(39)40)45-47-43(34-23-21-28-11-4-6-15-31(28)25-34)46-44(48-45)35-24-22-29-12-5-7-16-32(29)26-35/h1-27H
InChIKeyRRYZVOVKZUBKOG-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine (PubChem CID 170212090) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
PubChem CID170212090
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2c3ccccc3cc3c2oc2c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cccc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-30(14-3-1)40-36-18-9-8-17-33(36)27-39-37-19-10-20-38(41(37)49-42(39)40)45-47-43(34-23-21-28-11-4-6-15-31(28)25-34)46-44(48-45)35-24-22-29-12-5-7-16-32(29)26-35/h1-27H
InChIKeyRRYZVOVKZUBKOG-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213573
2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine
CID 176755150
2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213625
2,4-diphenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213535
2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 176817925
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212992
2-(6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213532
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 170213283
2-(6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213533
2,4-dinaphthalen-2-yl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212995
4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
CID 170213623
2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 170211931

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine (CID 170212090) is 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine is c1ccc(-c2c3ccccc3cc3c2oc2c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cccc23)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
The InChIKey is RRYZVOVKZUBKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-13-30(14-3-1)40-36-18-9-8-17-33(36)27-39-37-19-10-20-38(41(37)49-42(39)40)45-47-43(34-23-21-28-11-4-6-15-31(28)25-34)46-44(48-45)35-24-22-29-12-5-7-16-32(29)26-35/h1-27H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 170212090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).