2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine

C47H29N3O — CID 167424108

IUPAC2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)cc4c3oc3ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-15-32(16-4-1)45-48-46(33-17-5-2-6-18-33)50-47(49-45)41-29-36(28-40-43-39-23-10-8-14-31(39)25-26-42(43)51-44(40)41)34-20-11-21-35(27-34)38-24-12-19-30-13-7-9-22-37(30)38/h1-29H
InChIKeyDMDSUJFKPRCMEL-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine

2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167424108) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID167424108
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)cc4c3oc3ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-15-32(16-4-1)45-48-46(33-17-5-2-6-18-33)50-47(49-45)41-29-36(28-40-43-39-23-10-8-14-31(39)25-26-42(43)51-44(40)41)34-20-11-21-35(27-34)38-24-12-19-30-13-7-9-22-37(30)38/h1-29H
InChIKeyDMDSUJFKPRCMEL-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134430112
2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496724
2-[3-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-7-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139576754
2-[3-[3-(4-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430152
2-[6,8-bis(3-phenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496708
2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 157305772
4,6-diphenyl-2-[10-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-8-yl]pyrimidine
CID 167402239
2-dibenzofuran-4-yl-4-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614048
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159639509
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496577
4-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]quinazoline
CID 166867337
2-dibenzofuran-1-yl-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565423

Frequently Asked Questions

What is the IUPAC name of 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine (CID 167424108) is 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)cc4c3oc3ccc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DMDSUJFKPRCMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-15-32(16-4-1)45-48-46(33-17-5-2-6-18-33)50-47(49-45)41-29-36(28-40-43-39-23-10-8-14-31(39)25-26-42(43)51-44(40)41)34-20-11-21-35(27-34)38-24-12-19-30-13-7-9-22-37(30)38/h1-29H.
What are the key properties of 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167424108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).