2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

C143H100N12 — CID 157472818

IUPAC2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
SMILESCc1cc(C)nc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)c3)cc2)n1.Cc1ccc(-c2ccc(-c3cc(-c4ccc5ccc6ccccc6c5c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2)c(C)n1.Cc1cccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc7ccccc7c6c5)n4)c3)cc2)n1
InChIInChI=1S/C49H35N3.C47H33N5.C47H32N4/c1-32-17-26-44(33(2)50-32)36-20-18-34(19-21-36)41-27-42(40-25-24-37-23-22-35-11-9-10-16-45(35)46(37)30-40)29-43(28-41)49-51-47(38-12-5-3-6-13-38)31-48(52-49)39-14-7-4-8-15-39;1-30-25-31(2)49-44(48-30)35-23-21-33(22-24-35)38-26-37(32-13-5-3-6-14-32)27-39(28-38)46-50-45(34-15-7-4-8-16-34)51-47(52-46)43-29-36-17-9-10-18-40(36)41-19-11-12-20-42(41)43;1-31-11-10-18-44(48-31)36-24-19-33(20-25-36)40-27-39(32-12-4-2-5-13-32)28-41(29-40)47-50-45(37-15-6-3-7-16-37)49-46(51-47)38-26-23-35-22-21-34-14-8-9-17-42(34)43(35)30-38/h3-31H,1-2H3;3-29H,1-2H3;2-30H,1H3
InChIKeyBVFYOAIGUKWYPU-UHFFFAOYSA-N
MW1986.46 g/mol
LogP36.27
Rot. Bonds18

About 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 157472818) has the molecular formula C143H100N12 and a molecular weight of 1986.46 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
PubChem CID157472818
Molecular FormulaC143H100N12
Molecular Weight1986.46 g/mol
Exact Mass1984.82
IUPAC Name2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
SMILESCc1cc(C)nc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)c3)cc2)n1.Cc1ccc(-c2ccc(-c3cc(-c4ccc5ccc6ccccc6c5c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2)c(C)n1.Cc1cccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc7ccccc7c6c5)n4)c3)cc2)n1
InChIInChI=1S/C49H35N3.C47H33N5.C47H32N4/c1-32-17-26-44(33(2)50-32)36-20-18-34(19-21-36)41-27-42(40-25-24-37-23-22-35-11-9-10-16-45(35)46(37)30-40)29-43(28-41)49-51-47(38-12-5-3-6-13-38)31-48(52-49)39-14-7-4-8-15-39;1-30-25-31(2)49-44(48-30)35-23-21-33(22-24-35)38-26-37(32-13-5-3-6-14-32)27-39(28-38)46-50-45(34-15-7-4-8-16-34)51-47(52-46)43-29-36-17-9-10-18-40(36)41-19-11-12-20-42(41)43;1-31-11-10-18-44(48-31)36-24-19-33(20-25-36)40-27-39(32-12-4-2-5-13-32)28-41(29-40)47-50-45(37-15-6-3-7-16-37)49-46(51-47)38-26-23-35-22-21-34-14-8-9-17-42(34)43(35)30-38/h3-31H,1-2H3;3-29H,1-2H3;2-30H,1H3
InChIKeyBVFYOAIGUKWYPU-UHFFFAOYSA-N
XLogP36.27
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001986.46
LogP ≤ 536.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-bis[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-6-(3-phenylphenyl)pyrimidine;2,4-bis[4-(6-methyl-3-pyridinyl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 165068322
2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenylpyrimidine
CID 176622520
2-[3-(2,6-dimethyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176622469
4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine
CID 166057473
2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 155773765
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694
2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164950287
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439472
2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 170118120
4,6-dimethyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrimidine;2-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]-4,6-dimethylpyrimidine;2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine;2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 158579078

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (CID 157472818) is 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is Cc1cc(C)nc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)c3)cc2)n1.Cc1ccc(-c2ccc(-c3cc(-c4ccc5ccc6ccccc6c5c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2)c(C)n1.Cc1cccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc7ccccc7c6c5)n4)c3)cc2)n1.
What is the InChIKey of 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is BVFYOAIGUKWYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3.C47H33N5.C47H32N4/c1-32-17-26-44(33(2)50-32)36-20-18-34(19-21-36)41-27-42(40-25-24-37-23-22-35-11-9-10-16-45(35)46(37)30-40)29-43(28-41)49-51-47(38-12-5-3-6-13-38)31-48(52-49)39-14-7-4-8-15-39;1-30-25-31(2)49-44(48-30)35-23-21-33(22-24-35)38-26-37(32-13-5-3-6-14-32)27-39(28-38)46-50-45(34-15-7-4-8-16-34)51-47(52-46)43-29-36-17-9-10-18-40(36)41-19-11-12-20-42(41)43;1-31-11-10-18-44(48-31)36-24-19-33(20-25-36)40-27-39(32-12-4-2-5-13-32)28-41(29-40)47-50-45(37-15-6-3-7-16-37)49-46(51-47)38-26-23-35-22-21-34-14-8-9-17-42(34)43(35)30-38/h3-31H,1-2H3;3-29H,1-2H3;2-30H,1H3.
What are the key properties of 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 1986.46 g/mol, XLogP of 36.27, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-5-phenanthren-3-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-phenylphenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 157472818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).