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

C56H57ClN2 — CID 126638739

IUPAC5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)CC3(C)C)ncc1C1=C(c2cc(Cl)cc(-c3ccccc3-c3cnc(-c4ccc5c(c4)C(C)(C)CC5(C)C)cc3C)c2)C=CCC1
InChIInChI=1S/C56H57ClN2/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/h11-13,15-17,19-31H,14,18,32-33H2,1-10H3
InChIKeyGAHYNVQMZSDTSC-UHFFFAOYSA-N
MW793.54 g/mol
LogP15.59
Rot. Bonds6

About 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]cyclohexa-1,5-dien-1-yl]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]cyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine (PubChem CID 126638739) has the molecular formula C56H57ClN2 and a molecular weight of 793.54 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]cyclohexa-1,5-dien-1-yl]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]cyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
PubChem CID126638739
Molecular FormulaC56H57ClN2
Molecular Weight793.54 g/mol
Exact Mass792.42
IUPAC Name5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)CC3(C)C)ncc1C1=C(c2cc(Cl)cc(-c3ccccc3-c3cnc(-c4ccc5c(c4)C(C)(C)CC5(C)C)cc3C)c2)C=CCC1
InChIInChI=1S/C56H57ClN2/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/h11-13,15-17,19-31H,14,18,32-33H2,1-10H3
InChIKeyGAHYNVQMZSDTSC-UHFFFAOYSA-N
XLogP15.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.54
LogP ≤ 515.59
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]cyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine with MolForge

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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]cyclohexa-1,5-dien-1-yl]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]cyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine (CID 126638739) is 5-[2-[3-chloro-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]cyclohexa-1,5-dien-1-yl]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]cyclohexa-1,5-dien-1-yl]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]cyclohexa-1,5-dien-1-yl]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)ncc1C1=C(c2cc(Cl)cc(-c3ccccc3-c3cnc(-c4ccc5c(c4)C(C)(C)CC5(C)C)cc3C)c2)C=CCC1.
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]cyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine?
The InChIKey is GAHYNVQMZSDTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H57ClN2/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/h11-13,15-17,19-31H,14,18,32-33H2,1-10H3.
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]cyclohexa-1,5-dien-1-yl]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]cyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine has a molecular weight of 793.54 g/mol, XLogP of 15.59, 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]cyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine is sourced from PubChem (CID 126638739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).