5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine

C56H55ClN2 — CID 126638746

IUPAC5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)CC3(C)C)ncc1-c1ccccc1-c1cc(Cl)cc(-c2ccccc2-c2cnc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cc2C)c1
InChIInChI=1S/C56H55ClN2/c1-34-23-51(36-19-21-47-49(28-36)55(7,8)32-53(47,3)4)58-30-45(34)43-17-13-11-15-41(43)38-25-39(27-40(57)26-38)42-16-12-14-18-44(42)46-31-59-52(24-35(46)2)37-20-22-48-50(29-37)56(9,10)33-54(48,5)6/h11-31H,32-33H2,1-10H3
InChIKeyMVYPQNGZVBASQC-UHFFFAOYSA-N
MW791.52 g/mol
LogP15.67
Rot. Bonds6

About 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine

5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine (PubChem CID 126638746) has the molecular formula C56H55ClN2 and a molecular weight of 791.52 g/mol. Its IUPAC name is 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine.

Molecular Properties

Compound Name5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
PubChem CID126638746
Molecular FormulaC56H55ClN2
Molecular Weight791.52 g/mol
Exact Mass790.41
IUPAC Name5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)CC3(C)C)ncc1-c1ccccc1-c1cc(Cl)cc(-c2ccccc2-c2cnc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cc2C)c1
InChIInChI=1S/C56H55ClN2/c1-34-23-51(36-19-21-47-49(28-36)55(7,8)32-53(47,3)4)58-30-45(34)43-17-13-11-15-41(43)38-25-39(27-40(57)26-38)42-16-12-14-18-44(42)46-31-59-52(24-35(46)2)37-20-22-48-50(29-37)56(9,10)33-54(48,5)6/h11-31H,32-33H2,1-10H3
InChIKeyMVYPQNGZVBASQC-UHFFFAOYSA-N
XLogP15.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.52
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine with MolForge

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Related Compounds

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2-(4'-(Tert-butyl)-4-chloro-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
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3,3'-(9,9-dimethyl-9H-fluorene-2,7-diyl)dipyridine
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2-[3-[3-(3-Pyridin-2-ylphenyl)-8-(2,4,6-trifluorophenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]phenyl]pyridine
CID 58068248
[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509786
(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile
CID 58509804
[(6E)-6-isocyanoimino-8-(2-methyl-4-pyridinyl)-2-[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509817
(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(2-methyl-4-pyridinyl)-2-[2-(trifluoromethyl)-4-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile
CID 58509849

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine?
The IUPAC name of 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine (CID 126638746) is 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine.
What is the SMILES notation for 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine?
The canonical SMILES for 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine is Cc1cc(-c2ccc3c(c2)C(C)(C)CC3(C)C)ncc1-c1ccccc1-c1cc(Cl)cc(-c2ccccc2-c2cnc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cc2C)c1.
What is the InChIKey of 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine?
The InChIKey is MVYPQNGZVBASQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H55ClN2/c1-34-23-51(36-19-21-47-49(28-36)55(7,8)32-53(47,3)4)58-30-45(34)43-17-13-11-15-41(43)38-25-39(27-40(57)26-38)42-16-12-14-18-44(42)46-31-59-52(24-35(46)2)37-20-22-48-50(29-37)56(9,10)33-54(48,5)6/h11-31H,32-33H2,1-10H3.
What are the key properties of 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine?
5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine has a molecular weight of 791.52 g/mol, XLogP of 15.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine is sourced from PubChem (CID 126638746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).