6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine

C129H79N19 — CID 159078557

IUPAC6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)n2)cc1.c1ccc2c(c1)ccc1c(-c3ncc(-c4nc(-c5ccnc6ccccc56)nc(-c5ccnc6ccccc56)n4)c4ccccc34)nc3ccccc3c12.c1ccc2c(c1)ccc1c(-c3ncc(-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)c4ccccc34)nc3ccccc3c12
InChIInChI=1S/C47H27N7.C43H29N5.C39H23N7/c1-2-12-29-28(11-1)21-22-37-42(29)36-17-7-10-20-41(36)51-44(37)43-33-16-4-3-13-30(33)38(27-50-43)47-53-45(34-23-25-48-39-18-8-5-14-31(34)39)52-46(54-47)35-24-26-49-40-19-9-6-15-32(35)40;1-26-15-19-29(20-16-26)41-46-42(30-21-17-27(2)18-22-30)48-43(47-41)36-25-44-39(33-12-6-5-11-32(33)36)40-35-24-23-28-9-3-4-10-31(28)38(35)34-13-7-8-14-37(34)45-40;1-2-8-27-24(7-1)13-14-31-34(27)30-11-5-6-12-33(30)43-36(31)35-29-10-4-3-9-28(29)32(23-42-35)39-45-37(25-15-19-40-20-16-25)44-38(46-39)26-17-21-41-22-18-26/h1-27H;3-25H,1-2H3;1-23H
InChIKeyKAOHCZBPCXPIJS-UHFFFAOYSA-N
MW1895.18 g/mol
LogP30.33
Rot. Bonds12

About 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine

6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine (PubChem CID 159078557) has the molecular formula C129H79N19 and a molecular weight of 1895.18 g/mol. Its IUPAC name is 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine
PubChem CID159078557
Molecular FormulaC129H79N19
Molecular Weight1895.18 g/mol
Exact Mass1893.68
IUPAC Name6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)n2)cc1.c1ccc2c(c1)ccc1c(-c3ncc(-c4nc(-c5ccnc6ccccc56)nc(-c5ccnc6ccccc56)n4)c4ccccc34)nc3ccccc3c12.c1ccc2c(c1)ccc1c(-c3ncc(-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)c4ccccc34)nc3ccccc3c12
InChIInChI=1S/C47H27N7.C43H29N5.C39H23N7/c1-2-12-29-28(11-1)21-22-37-42(29)36-17-7-10-20-41(36)51-44(37)43-33-16-4-3-13-30(33)38(27-50-43)47-53-45(34-23-25-48-39-18-8-5-14-31(34)39)52-46(54-47)35-24-26-49-40-19-9-6-15-32(35)40;1-26-15-19-29(20-16-26)41-46-42(30-21-17-27(2)18-22-30)48-43(47-41)36-25-44-39(33-12-6-5-11-32(33)36)40-35-24-23-28-9-3-4-10-31(28)38(35)34-13-7-8-14-37(34)45-40;1-2-8-27-24(7-1)13-14-31-34(27)30-11-5-6-12-33(30)43-36(31)35-29-10-4-3-9-28(29)32(23-42-35)39-45-37(25-15-19-40-20-16-25)44-38(46-39)26-17-21-41-22-18-26/h1-27H;3-25H,1-2H3;1-23H
InChIKeyKAOHCZBPCXPIJS-UHFFFAOYSA-N
XLogP30.33
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.18
LogP ≤ 530.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665786
6-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine
CID 122665499
6-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122666027
6-[3-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665527
(4-benzo[k]phenanthridin-6-ylphenyl)-bis(2,6-dimethylphenyl)borane
CID 164784193
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
3-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 122416233
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 122416200
6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665365
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine
CID 122665268

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine?
The IUPAC name of 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine (CID 159078557) is 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine?
The canonical SMILES for 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)n2)cc1.c1ccc2c(c1)ccc1c(-c3ncc(-c4nc(-c5ccnc6ccccc56)nc(-c5ccnc6ccccc56)n4)c4ccccc34)nc3ccccc3c12.c1ccc2c(c1)ccc1c(-c3ncc(-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)c4ccccc34)nc3ccccc3c12.
What is the InChIKey of 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine?
The InChIKey is KAOHCZBPCXPIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N7.C43H29N5.C39H23N7/c1-2-12-29-28(11-1)21-22-37-42(29)36-17-7-10-20-41(36)51-44(37)43-33-16-4-3-13-30(33)38(27-50-43)47-53-45(34-23-25-48-39-18-8-5-14-31(34)39)52-46(54-47)35-24-26-49-40-19-9-6-15-32(35)40;1-26-15-19-29(20-16-26)41-46-42(30-21-17-27(2)18-22-30)48-43(47-41)36-25-44-39(33-12-6-5-11-32(33)36)40-35-24-23-28-9-3-4-10-31(28)38(35)34-13-7-8-14-37(34)45-40;1-2-8-27-24(7-1)13-14-31-34(27)30-11-5-6-12-33(30)43-36(31)35-29-10-4-3-9-28(29)32(23-42-35)39-45-37(25-15-19-40-20-16-25)44-38(46-39)26-17-21-41-22-18-26/h1-27H;3-25H,1-2H3;1-23H.
What are the key properties of 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine?
6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine has a molecular weight of 1895.18 g/mol, XLogP of 30.33, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]isoquinolin-1-yl]benzo[k]phenanthridine is sourced from PubChem (CID 159078557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).