9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine

C138H86N18O — CID 158232467

IUPAC9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccc8cccnc8c7c6)cc5)nc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)nc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)nc5ccccc45)cc3)n2)cc1
InChIInChI=1S/2C48H30N6.C42H26N6O/c1-3-13-33(14-4-1)46-52-47(34-15-5-2-6-16-34)54-48(53-46)36-29-25-32(26-30-36)44-40-20-10-12-22-42(40)50-45(51-44)35-27-23-31(24-28-35)43-39-19-8-7-17-37(39)38-18-9-11-21-41(38)49-43;1-3-10-35(11-4-1)46-52-47(36-12-5-2-6-13-36)54-48(53-46)38-26-22-34(23-27-38)44-40-15-7-8-16-42(40)50-45(51-44)37-24-17-31(18-25-37)39-28-20-32-19-21-33-14-9-29-49-43(33)41(32)30-39;1-3-11-28(12-4-1)39-46-40(29-13-5-2-6-14-29)48-41(47-39)31-21-19-27(20-22-31)37-33-15-7-8-16-34(33)43-38(45-37)30-23-25-32(26-24-30)42-44-35-17-9-10-18-36(35)49-42/h2*1-30H;1-26H
InChIKeyGENWOKLYTAPVHG-UHFFFAOYSA-N
MW2012.33 g/mol
LogP32.99
Rot. Bonds18

About 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine

9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine (PubChem CID 158232467) has the molecular formula C138H86N18O and a molecular weight of 2012.33 g/mol. Its IUPAC name is 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine.

Molecular Properties

Compound Name9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine
PubChem CID158232467
Molecular FormulaC138H86N18O
Molecular Weight2012.33 g/mol
Exact Mass2010.72
IUPAC Name9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccc8cccnc8c7c6)cc5)nc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)nc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)nc5ccccc45)cc3)n2)cc1
InChIInChI=1S/2C48H30N6.C42H26N6O/c1-3-13-33(14-4-1)46-52-47(34-15-5-2-6-16-34)54-48(53-46)36-29-25-32(26-30-36)44-40-20-10-12-22-42(40)50-45(51-44)35-27-23-31(24-28-35)43-39-19-8-7-17-37(39)38-18-9-11-21-41(38)49-43;1-3-10-35(11-4-1)46-52-47(36-12-5-2-6-13-36)54-48(53-46)38-26-22-34(23-27-38)44-40-15-7-8-16-42(40)50-45(51-44)37-24-17-31(18-25-37)39-28-20-32-19-21-33-14-9-29-49-43(33)41(32)30-39;1-3-11-28(12-4-1)39-46-40(29-13-5-2-6-14-29)48-41(47-39)31-21-19-27(20-22-31)37-33-15-7-8-16-34(33)43-38(45-37)30-23-25-32(26-24-30)42-44-35-17-9-10-18-36(35)49-42/h2*1-30H;1-26H
InChIKeyGENWOKLYTAPVHG-UHFFFAOYSA-N
XLogP32.99
TPSA245.16 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.33
LogP ≤ 532.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine?
The IUPAC name of 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine (CID 158232467) is 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine.
What is the SMILES notation for 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine?
The canonical SMILES for 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccc8cccnc8c7c6)cc5)nc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)nc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)nc5ccccc45)cc3)n2)cc1.
What is the InChIKey of 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine?
The InChIKey is GENWOKLYTAPVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30N6.C42H26N6O/c1-3-13-33(14-4-1)46-52-47(34-15-5-2-6-16-34)54-48(53-46)36-29-25-32(26-30-36)44-40-20-10-12-22-42(40)50-45(51-44)35-27-23-31(24-28-35)43-39-19-8-7-17-37(39)38-18-9-11-21-41(38)49-43;1-3-10-35(11-4-1)46-52-47(36-12-5-2-6-13-36)54-48(53-46)38-26-22-34(23-27-38)44-40-15-7-8-16-42(40)50-45(51-44)37-24-17-31(18-25-37)39-28-20-32-19-21-33-14-9-29-49-43(33)41(32)30-39;1-3-11-28(12-4-1)39-46-40(29-13-5-2-6-14-29)48-41(47-39)31-21-19-27(20-22-31)37-33-15-7-8-16-34(33)43-38(45-37)30-23-25-32(26-24-30)42-44-35-17-9-10-18-36(35)49-42/h2*1-30H;1-26H.
What are the key properties of 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine?
9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine has a molecular weight of 2012.33 g/mol, XLogP of 32.99, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]benzo[h]quinoline;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]-1,3-benzoxazole;6-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-2-yl]phenyl]phenanthridine is sourced from PubChem (CID 158232467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).