3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine

C55H40N2 — CID 149072104

IUPAC3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine
SMILESCc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c[nH]c(C)c5)cc4)c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc34)cc2)c1
InChIInChI=1S/C55H40N2/c1-36-27-48(34-56-33-36)40-17-21-42(22-18-40)54-50-15-9-10-16-51(50)55(43-23-19-41(20-24-43)49-28-37(2)57-35-49)53-32-44(25-26-52(53)54)47-30-45(38-11-5-3-6-12-38)29-46(31-47)39-13-7-4-8-14-39/h3-35,57H,1-2H3
InChIKeyQOEQUVGRLFFCPX-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.00
Rot. Bonds7

About 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine

3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine (PubChem CID 149072104) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine.

Molecular Properties

Compound Name3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine
PubChem CID149072104
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine
SMILESCc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c[nH]c(C)c5)cc4)c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc34)cc2)c1
InChIInChI=1S/C55H40N2/c1-36-27-48(34-56-33-36)40-17-21-42(22-18-40)54-50-15-9-10-16-51(50)55(43-23-19-41(20-24-43)49-28-37(2)57-35-49)53-32-44(25-26-52(53)54)47-30-45(38-11-5-3-6-12-38)29-46(31-47)39-13-7-4-8-14-39/h3-35,57H,1-2H3
InChIKeyQOEQUVGRLFFCPX-UHFFFAOYSA-N
XLogP15.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642404
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
3-phenyl-5-[10-(5-phenyl-3-pyridinyl)anthracen-9-yl]pyridine
CID 88908908
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine
CID 88554453
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
2-(5-methyl-3-pyridinyl)-5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 88554552
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine?
The IUPAC name of 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine (CID 149072104) is 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine.
What is the SMILES notation for 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine?
The canonical SMILES for 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine is Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c[nH]c(C)c5)cc4)c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc34)cc2)c1.
What is the InChIKey of 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine?
The InChIKey is QOEQUVGRLFFCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-36-27-48(34-56-33-36)40-17-21-42(22-18-40)54-50-15-9-10-16-51(50)55(43-23-19-41(20-24-43)49-28-37(2)57-35-49)53-32-44(25-26-52(53)54)47-30-45(38-11-5-3-6-12-38)29-46(31-47)39-13-7-4-8-14-39/h3-35,57H,1-2H3.
What are the key properties of 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine?
3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine has a molecular weight of 728.94 g/mol, XLogP of 15.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(3,5-diphenylphenyl)-10-[4-(5-methyl-1H-pyrrol-3-yl)phenyl]anthracen-9-yl]phenyl]-5-methylpyridine is sourced from PubChem (CID 149072104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).