2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline

C209H154N14 — CID 157357902

IUPAC2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4cc(-c5cccc6ccccc56)ncn4)cc(-c4cccc5ccccc45)n2)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4ccc5cccnc5c4)cc(-c4cc5ccccc5c5ccccc45)n2)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4ccnc(-c5cccc6ccccc56)c4)cc(-c4cccc5ccccc45)n2)cc1C3(C)C.Cc1cc(-c2cccc3ccccc23)cc(-c2nc(-c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)nc(-c3cccc4ccccc34)n2)n1
InChIInChI=1S/C53H40N4.C53H39N3.C52H38N4.C51H37N3/c1-31-26-35(38-21-12-16-32-14-6-8-18-36(32)38)28-48(54-31)51-56-49(55-50(57-51)41-22-13-17-33-15-7-9-19-37(33)41)34-24-25-40-43-30-46-42(29-47(43)53(4,5)45(40)27-34)39-20-10-11-23-44(39)52(46,2)3;1-52(2)44-22-10-9-19-38(44)42-29-47-43(30-46(42)52)39-24-23-35(27-45(39)53(47,3)4)51-55-48(31-50(56-51)41-21-12-16-33-14-6-8-18-37(33)41)34-25-26-54-49(28-34)40-20-11-15-32-13-5-7-17-36(32)40;1-51(2)42-22-10-9-19-36(42)40-26-45-41(27-44(40)51)37-24-23-33(25-43(37)52(45,3)4)50-55-47(39-21-12-16-32-14-6-8-18-35(32)39)29-49(56-50)48-28-46(53-30-54-48)38-20-11-15-31-13-5-7-17-34(31)38;1-50(2)42-18-10-9-17-37(42)39-27-45-40(28-44(39)50)38-22-21-33(25-43(38)51(45,3)4)49-53-47(32-20-19-30-13-11-23-52-46(30)26-32)29-48(54-49)41-24-31-12-5-6-14-34(31)35-15-7-8-16-36(35)41/h6-30H,1-5H3;5-31H,1-4H3;5-30H,1-4H3;5-29H,1-4H3
InChIKeyBIHMYYFJGZDOPV-UHFFFAOYSA-N
MW2861.63 g/mol
LogP52.42
Rot. Bonds15

About 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline

2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline (PubChem CID 157357902) has the molecular formula C209H154N14 and a molecular weight of 2861.63 g/mol. Its IUPAC name is 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline.

Molecular Properties

Compound Name2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline
PubChem CID157357902
Molecular FormulaC209H154N14
Molecular Weight2861.63 g/mol
Exact Mass2859.25
IUPAC Name2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4cc(-c5cccc6ccccc56)ncn4)cc(-c4cccc5ccccc45)n2)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4ccc5cccnc5c4)cc(-c4cc5ccccc5c5ccccc45)n2)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4ccnc(-c5cccc6ccccc56)c4)cc(-c4cccc5ccccc45)n2)cc1C3(C)C.Cc1cc(-c2cccc3ccccc23)cc(-c2nc(-c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)nc(-c3cccc4ccccc34)n2)n1
InChIInChI=1S/C53H40N4.C53H39N3.C52H38N4.C51H37N3/c1-31-26-35(38-21-12-16-32-14-6-8-18-36(32)38)28-48(54-31)51-56-49(55-50(57-51)41-22-13-17-33-15-7-9-19-37(33)41)34-24-25-40-43-30-46-42(29-47(43)53(4,5)45(40)27-34)39-20-10-11-23-44(39)52(46,2)3;1-52(2)44-22-10-9-19-38(44)42-29-47-43(30-46(42)52)39-24-23-35(27-45(39)53(47,3)4)51-55-48(31-50(56-51)41-21-12-16-33-14-6-8-18-37(33)41)34-25-26-54-49(28-34)40-20-11-15-32-13-5-7-17-36(32)40;1-51(2)42-22-10-9-19-36(42)40-26-45-41(27-44(40)51)37-24-23-33(25-43(37)52(45,3)4)50-55-47(39-21-12-16-32-14-6-8-18-35(32)39)29-49(56-50)48-28-46(53-30-54-48)38-20-11-15-31-13-5-7-17-34(31)38;1-50(2)42-18-10-9-17-37(42)39-27-45-40(28-44(39)50)38-22-21-33(25-43(38)51(45,3)4)49-53-47(32-20-19-30-13-11-23-52-46(30)26-32)29-48(54-49)41-24-31-12-5-6-14-34(31)35-15-7-8-16-36(35)41/h6-30H,1-5H3;5-31H,1-4H3;5-30H,1-4H3;5-29H,1-4H3
InChIKeyBIHMYYFJGZDOPV-UHFFFAOYSA-N
XLogP52.42
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002861.63
LogP ≤ 552.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline?
The IUPAC name of 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline (CID 157357902) is 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline.
What is the SMILES notation for 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline?
The canonical SMILES for 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4cc(-c5cccc6ccccc56)ncn4)cc(-c4cccc5ccccc45)n2)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4ccc5cccnc5c4)cc(-c4cc5ccccc5c5ccccc45)n2)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4ccnc(-c5cccc6ccccc56)c4)cc(-c4cccc5ccccc45)n2)cc1C3(C)C.Cc1cc(-c2cccc3ccccc23)cc(-c2nc(-c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)nc(-c3cccc4ccccc34)n2)n1.
What is the InChIKey of 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline?
The InChIKey is BIHMYYFJGZDOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N4.C53H39N3.C52H38N4.C51H37N3/c1-31-26-35(38-21-12-16-32-14-6-8-18-36(32)38)28-48(54-31)51-56-49(55-50(57-51)41-22-13-17-33-15-7-9-19-37(33)41)34-24-25-40-43-30-46-42(29-47(43)53(4,5)45(40)27-34)39-20-10-11-23-44(39)52(46,2)3;1-52(2)44-22-10-9-19-38(44)42-29-47-43(30-46(42)52)39-24-23-35(27-45(39)53(47,3)4)51-55-48(31-50(56-51)41-21-12-16-33-14-6-8-18-37(33)41)34-25-26-54-49(28-34)40-20-11-15-32-13-5-7-17-36(32)40;1-51(2)42-22-10-9-19-36(42)40-26-45-41(27-44(40)51)37-24-23-33(25-43(37)52(45,3)4)50-55-47(39-21-12-16-32-14-6-8-18-35(32)39)29-49(56-50)48-28-46(53-30-54-48)38-20-11-15-31-13-5-7-17-34(31)38;1-50(2)42-18-10-9-17-37(42)39-27-45-40(28-44(39)50)38-22-21-33(25-43(38)51(45,3)4)49-53-47(32-20-19-30-13-11-23-52-46(30)26-32)29-48(54-49)41-24-31-12-5-6-14-34(31)35-15-7-8-16-36(35)41/h6-30H,1-5H3;5-31H,1-4H3;5-30H,1-4H3;5-29H,1-4H3.
What are the key properties of 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline?
2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline has a molecular weight of 2861.63 g/mol, XLogP of 52.42, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-naphthalen-1-yl-2-pyridinyl)-4-naphthalen-1-yl-6-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-1,3,5-triazine;4-naphthalen-1-yl-6-(2-naphthalen-1-yl-4-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidine;7-[6-phenanthren-9-yl-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline is sourced from PubChem (CID 157357902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).