3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine

C111H78N6 — CID 157188872

IUPAC3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCc1ccncc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccncc4)c3)c3ccccc23)cc1.Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccnc5)c4)c4ccccc34)cc2)c1.Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccncc5)c4)c4ccccc34)cc2)c1
InChIInChI=1S/3C37H26N2/c1-25-20-31(24-39-22-25)26-15-17-27(18-16-26)36-32-11-2-4-13-34(32)37(35-14-5-3-12-33(35)36)29-9-6-8-28(21-29)30-10-7-19-38-23-30;1-25-17-20-39-24-35(25)27-13-15-28(16-14-27)36-31-9-2-4-11-33(31)37(34-12-5-3-10-32(34)36)30-8-6-7-29(23-30)26-18-21-38-22-19-26;1-25-21-31(24-39-23-25)26-13-15-28(16-14-26)36-32-9-2-4-11-34(32)37(35-12-5-3-10-33(35)36)30-8-6-7-29(22-30)27-17-19-38-20-18-27/h3*2-24H,1H3
InChIKeyAPLMHCDXYGQXLO-UHFFFAOYSA-N
MW1495.89 g/mol
LogP29.28
Rot. Bonds12

About 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine

3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine (PubChem CID 157188872) has the molecular formula C111H78N6 and a molecular weight of 1495.89 g/mol. Its IUPAC name is 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
PubChem CID157188872
Molecular FormulaC111H78N6
Molecular Weight1495.89 g/mol
Exact Mass1494.63
IUPAC Name3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCc1ccncc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccncc4)c3)c3ccccc23)cc1.Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccnc5)c4)c4ccccc34)cc2)c1.Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccncc5)c4)c4ccccc34)cc2)c1
InChIInChI=1S/3C37H26N2/c1-25-20-31(24-39-22-25)26-15-17-27(18-16-26)36-32-11-2-4-13-34(32)37(35-14-5-3-12-33(35)36)29-9-6-8-28(21-29)30-10-7-19-38-23-30;1-25-17-20-39-24-35(25)27-13-15-28(16-14-27)36-31-9-2-4-11-33(31)37(34-12-5-3-10-32(34)36)30-8-6-7-29(23-30)26-18-21-38-22-19-26;1-25-21-31(24-39-23-25)26-13-15-28(16-14-26)36-32-9-2-4-11-34(32)37(35-12-5-3-10-33(35)36)30-8-6-7-29(22-30)27-17-19-38-20-18-27/h3*2-24H,1H3
InChIKeyAPLMHCDXYGQXLO-UHFFFAOYSA-N
XLogP29.28
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001495.89
LogP ≤ 529.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine with MolForge

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Related Compounds

3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
CID 122642642
3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642605
3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
CID 88554456
ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 159010834
2-methyl-3-[4-[10-[4-(3-methyl-4-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-3-[4-[10-[4-(5-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-3-[4-[10-[4-(6-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine;2-methyl-5-[4-[10-(4-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 161316240
3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
CID 88554356
2-methyl-4-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
CID 122642632
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide
CID 162114840
4-methyl-3-[4-[10-[4-(4-methyl-3-pyridinyl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]phenyl]pyridine
CID 122642523
3-methyl-5-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 143453970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine (CID 157188872) is 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine is Cc1ccncc1-c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccncc4)c3)c3ccccc23)cc1.Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccnc5)c4)c4ccccc34)cc2)c1.Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccncc5)c4)c4ccccc34)cc2)c1.
What is the InChIKey of 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The InChIKey is APLMHCDXYGQXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C37H26N2/c1-25-20-31(24-39-22-25)26-15-17-27(18-16-26)36-32-11-2-4-13-34(32)37(35-14-5-3-12-33(35)36)29-9-6-8-28(21-29)30-10-7-19-38-23-30;1-25-17-20-39-24-35(25)27-13-15-28(16-14-27)36-31-9-2-4-11-33(31)37(34-12-5-3-10-32(34)36)30-8-6-7-29(23-30)26-18-21-38-22-19-26;1-25-21-31(24-39-23-25)26-13-15-28(16-14-26)36-32-9-2-4-11-34(32)37(35-12-5-3-10-33(35)36)30-8-6-7-29(22-30)27-17-19-38-20-18-27/h3*2-24H,1H3.
What are the key properties of 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine?
3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 1495.89 g/mol, XLogP of 29.28, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 157188872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).