2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C85H53N11O2 — CID 162140506

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6oc7ccccc7c6n5)cc4)nc(-c4cccnc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)cc3)n2)cc1
InChIInChI=1S/C48H30N6O.C37H23N5O/c1-3-12-31(13-4-1)35-16-9-18-37(28-35)42-44-43(40-21-7-8-22-41(40)55-44)51-45(50-42)33-23-25-34(26-24-33)46-52-47(54-48(53-46)39-20-11-27-49-30-39)38-19-10-17-36(29-38)32-14-5-2-6-15-32;1-4-12-24(13-5-1)31-33-32(29-18-10-11-19-30(29)43-33)39-34(38-31)27-20-22-28(23-21-27)37-41-35(25-14-6-2-7-15-25)40-36(42-37)26-16-8-3-9-17-26/h1-30H;1-23H
InChIKeyZJWCZHFZGZMCTL-UHFFFAOYSA-N
MW1260.43 g/mol
LogP20.52
Rot. Bonds12

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 162140506) has the molecular formula C85H53N11O2 and a molecular weight of 1260.43 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID162140506
Molecular FormulaC85H53N11O2
Molecular Weight1260.43 g/mol
Exact Mass1259.44
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6oc7ccccc7c6n5)cc4)nc(-c4cccnc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)cc3)n2)cc1
InChIInChI=1S/C48H30N6O.C37H23N5O/c1-3-12-31(13-4-1)35-16-9-18-37(28-35)42-44-43(40-21-7-8-22-41(40)55-44)51-45(50-42)33-23-25-34(26-24-33)46-52-47(54-48(53-46)39-20-11-27-49-30-39)38-19-10-17-36(29-38)32-14-5-2-6-15-32;1-4-12-24(13-5-1)31-33-32(29-18-10-11-19-30(29)43-33)39-34(38-31)27-20-22-28(23-21-27)37-41-35(25-14-6-2-7-15-25)40-36(42-37)26-16-8-3-9-17-26/h1-30H;1-23H
InChIKeyZJWCZHFZGZMCTL-UHFFFAOYSA-N
XLogP20.52
TPSA168.07 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001260.43
LogP ≤ 520.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 158921700
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123166635
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146647718
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 162140506) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6oc7ccccc7c6n5)cc4)nc(-c4cccnc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ccccc6c5n4)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ZJWCZHFZGZMCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O.C37H23N5O/c1-3-12-31(13-4-1)35-16-9-18-37(28-35)42-44-43(40-21-7-8-22-41(40)55-44)51-45(50-42)33-23-25-34(26-24-33)46-52-47(54-48(53-46)39-20-11-27-49-30-39)38-19-10-17-36(29-38)32-14-5-2-6-15-32;1-4-12-24(13-5-1)31-33-32(29-18-10-11-19-30(29)43-33)39-34(38-31)27-20-22-28(23-21-27)37-41-35(25-14-6-2-7-15-25)40-36(42-37)26-16-8-3-9-17-26/h1-30H;1-23H.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1260.43 g/mol, XLogP of 20.52, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 162140506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).