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

C95H59N13 — CID 164989766

IUPAC2-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ncc9ccccc9n8)nc7c6)nc5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ncc9ccccc9n8)nc7c6)nc5c4)cc3)n2)cc1
InChIInChI=1S/C48H30N6.C47H29N7/c1-3-9-32(10-4-1)45-29-46(54-47(53-45)36-11-5-2-6-12-36)33-17-15-31(16-18-33)37-21-19-34-23-25-41(50-43(34)27-37)38-22-20-35-24-26-42(51-44(35)28-38)48-49-30-39-13-7-8-14-40(39)52-48;1-3-9-33(10-4-1)44-52-45(34-11-5-2-6-12-34)54-46(53-44)35-19-15-30(16-20-35)36-21-17-31-23-25-40(49-42(31)27-36)37-22-18-32-24-26-41(50-43(32)28-37)47-48-29-38-13-7-8-14-39(38)51-47/h1-30H;1-29H
InChIKeyGRKYWXHYGPZWJJ-UHFFFAOYSA-N
MW1382.61 g/mol
LogP22.43
Rot. Bonds12

About 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

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 (PubChem CID 164989766) has the molecular formula C95H59N13 and a molecular weight of 1382.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID164989766
Molecular FormulaC95H59N13
Molecular Weight1382.61 g/mol
Exact Mass1381.50
IUPAC Name2-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ncc9ccccc9n8)nc7c6)nc5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ncc9ccccc9n8)nc7c6)nc5c4)cc3)n2)cc1
InChIInChI=1S/C48H30N6.C47H29N7/c1-3-9-32(10-4-1)45-29-46(54-47(53-45)36-11-5-2-6-12-36)33-17-15-31(16-18-33)37-21-19-34-23-25-41(50-43(34)27-37)38-22-20-35-24-26-42(51-44(35)28-38)48-49-30-39-13-7-8-14-40(39)52-48;1-3-9-33(10-4-1)44-52-45(34-11-5-2-6-12-34)54-46(53-44)35-19-15-30(16-20-35)36-21-17-31-23-25-40(49-42(31)27-36)37-22-18-32-24-26-41(50-43(32)28-37)47-48-29-38-13-7-8-14-39(38)51-47/h1-30H;1-29H
InChIKeyGRKYWXHYGPZWJJ-UHFFFAOYSA-N
XLogP22.43
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001382.61
LogP ≤ 522.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline
CID 165009451
2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline
CID 171732276
2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]quinoline
CID 139363955
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
2-[4-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 168797174
2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
CID 155023055
4-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 163509386
4-[4-[6-(2-quinazolin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780796
2-phenyl-9-[4-[2-(2-pyrimidin-2-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 164779363
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797123

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ncc9ccccc9n8)nc7c6)nc5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc7ccc(-c8ncc9ccccc9n8)nc7c6)nc5c4)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is GRKYWXHYGPZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6.C47H29N7/c1-3-9-32(10-4-1)45-29-46(54-47(53-45)36-11-5-2-6-12-36)33-17-15-31(16-18-33)37-21-19-34-23-25-41(50-43(34)27-37)38-22-20-35-24-26-42(51-44(35)28-38)48-49-30-39-13-7-8-14-40(39)52-48;1-3-9-33(10-4-1)44-52-45(34-11-5-2-6-12-34)54-46(53-44)35-19-15-30(16-20-35)36-21-17-31-23-25-40(49-42(31)27-36)37-22-18-32-24-26-41(50-43(32)28-37)47-48-29-38-13-7-8-14-39(38)51-47/h1-30H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 1382.61 g/mol, XLogP of 22.43, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164989766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).