6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline

C41H25N5O — CID 152892614

IUPAC6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc6cncnc6c6c5oc5ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C41H25N5O/c1-3-10-26(11-4-1)27-18-20-29(21-19-27)40-44-39(28-12-5-2-6-13-28)45-41(46-40)31-15-9-14-30(22-31)34-23-32-24-42-25-43-37(32)36-33-16-7-8-17-35(33)47-38(34)36/h1-25H
InChIKeyUDSVNYZKHGVTAR-UHFFFAOYSA-N
MW603.69 g/mol
LogP10.05
Rot. Bonds5

About 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline

6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline (PubChem CID 152892614) has the molecular formula C41H25N5O and a molecular weight of 603.69 g/mol. Its IUPAC name is 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline.

Molecular Properties

Compound Name6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline
PubChem CID152892614
Molecular FormulaC41H25N5O
Molecular Weight603.69 g/mol
Exact Mass603.21
IUPAC Name6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc6cncnc6c6c5oc5ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C41H25N5O/c1-3-10-26(11-4-1)27-18-20-29(21-19-27)40-44-39(28-12-5-2-6-13-28)45-41(46-40)31-15-9-14-30(22-31)34-23-32-24-42-25-43-37(32)36-33-16-7-8-17-35(33)47-38(34)36/h1-25H
InChIKeyUDSVNYZKHGVTAR-UHFFFAOYSA-N
XLogP10.05
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.69
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline with MolForge

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 159778043
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158226926
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118245310
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167125281
2-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077748
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline?
The IUPAC name of 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline (CID 152892614) is 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline.
What is the SMILES notation for 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline?
The canonical SMILES for 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc6cncnc6c6c5oc5ccccc56)c4)n3)cc2)cc1.
What is the InChIKey of 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline?
The InChIKey is UDSVNYZKHGVTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5O/c1-3-10-26(11-4-1)27-18-20-29(21-19-27)40-44-39(28-12-5-2-6-13-28)45-41(46-40)31-15-9-14-30(22-31)34-23-32-24-42-25-43-37(32)36-33-16-7-8-17-35(33)47-38(34)36/h1-25H.
What are the key properties of 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline?
6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline has a molecular weight of 603.69 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-h]quinazoline is sourced from PubChem (CID 152892614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).