2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline

C49H33N7 — CID 143968891

IUPAC2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline
SMILESC1=C(c2cc(-c3ccc(-c4ncc5ccccc5n4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)CCC(c2ncc3ccccc3n2)=C1
InChIInChI=1S/C49H33N7/c1-3-11-34(12-4-1)47-54-48(35-13-5-2-6-14-35)56-49(55-47)42-28-40(32-19-23-36(24-20-32)45-50-30-38-15-7-9-17-43(38)52-45)27-41(29-42)33-21-25-37(26-22-33)46-51-31-39-16-8-10-18-44(39)53-46/h1-21,23-25,27-31H,22,26H2
InChIKeyVJXBLQNZANGJJA-UHFFFAOYSA-N
MW719.85 g/mol
LogP11.35
Rot. Bonds7

About 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline

2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline (PubChem CID 143968891) has the molecular formula C49H33N7 and a molecular weight of 719.85 g/mol. Its IUPAC name is 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline
PubChem CID143968891
Molecular FormulaC49H33N7
Molecular Weight719.85 g/mol
Exact Mass719.28
IUPAC Name2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline
SMILESC1=C(c2cc(-c3ccc(-c4ncc5ccccc5n4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)CCC(c2ncc3ccccc3n2)=C1
InChIInChI=1S/C49H33N7/c1-3-11-34(12-4-1)47-54-48(35-13-5-2-6-14-35)56-49(55-47)42-28-40(32-19-23-36(24-20-32)45-50-30-38-15-7-9-17-43(38)52-45)27-41(29-42)33-21-25-37(26-22-33)46-51-31-39-16-8-10-18-44(39)53-46/h1-21,23-25,27-31H,22,26H2
InChIKeyVJXBLQNZANGJJA-UHFFFAOYSA-N
XLogP11.35
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.85
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenylquinazoline
CID 158733567
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-phenylquinazoline;1H-pyrrole
CID 162097748
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786454
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline
CID 164989766
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2,5-bis(3,5-diphenylphenyl)quinazoline;2,4-bis(4-naphthalen-2-ylphenyl)quinazoline;2,4-bis[4-(3-phenylphenyl)phenyl]quinazoline
CID 163717750

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline?
The IUPAC name of 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline (CID 143968891) is 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline.
What is the SMILES notation for 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline?
The canonical SMILES for 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline is C1=C(c2cc(-c3ccc(-c4ncc5ccccc5n4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)CCC(c2ncc3ccccc3n2)=C1.
What is the InChIKey of 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline?
The InChIKey is VJXBLQNZANGJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N7/c1-3-11-34(12-4-1)47-54-48(35-13-5-2-6-14-35)56-49(55-47)42-28-40(32-19-23-36(24-20-32)45-50-30-38-15-7-9-17-43(38)52-45)27-41(29-42)33-21-25-37(26-22-33)46-51-31-39-16-8-10-18-44(39)53-46/h1-21,23-25,27-31H,22,26H2.
What are the key properties of 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline?
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline has a molecular weight of 719.85 g/mol, XLogP of 11.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-quinazolin-2-ylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]quinazoline is sourced from PubChem (CID 143968891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).