5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

C54H60N2 — CID 153422803

IUPAC5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCc1cc(C)cc(-c2c(-c3ccc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)cccc2-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)c1
InChIInChI=1S/C54H60N2/c1-33-26-34(2)28-39(27-33)48-40(37-20-24-46(55-31-37)35-18-22-42-44(29-35)51(7,8)53(11,12)49(42,3)4)16-15-17-41(48)38-21-25-47(56-32-38)36-19-23-43-45(30-36)52(9,10)54(13,14)50(43,5)6/h15-32H,1-14H3
InChIKeyQVBRYIYBABNLCV-UHFFFAOYSA-N
MW737.09 g/mol
LogP14.62
Rot. Bonds5

About 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (PubChem CID 153422803) has the molecular formula C54H60N2 and a molecular weight of 737.09 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.

Molecular Properties

Compound Name5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
PubChem CID153422803
Molecular FormulaC54H60N2
Molecular Weight737.09 g/mol
Exact Mass736.48
IUPAC Name5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCc1cc(C)cc(-c2c(-c3ccc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)cccc2-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)c1
InChIInChI=1S/C54H60N2/c1-33-26-34(2)28-39(27-33)48-40(37-20-24-46(55-31-37)35-18-22-42-44(29-35)51(7,8)53(11,12)49(42,3)4)16-15-17-41(48)38-21-25-47(56-32-38)36-19-23-43-45(30-36)52(9,10)54(13,14)50(43,5)6/h15-32H,1-14H3
InChIKeyQVBRYIYBABNLCV-UHFFFAOYSA-N
XLogP14.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.09
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine with MolForge

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Related Compounds

2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
CID 118857218
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
CID 118857536
3-[5-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-5,5,6,6,7,7-hexamethylcyclopenta[c]pyridine
CID 171044013
2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826470
2-[4-[2-(3,5-dimethylphenyl)-3-[4-[5-[2-(3,5-dimethylphenyl)phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]benzene-6-id-1-yl]-5-[2-(3,5-dimethylphenyl)phenyl]pyridine;bis(iridium)
CID 153422727
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine-4,6-dicarbonitrile
CID 118857250
2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
CID 140826343
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine
CID 130376249
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-methyl-6-phenylsulfanyl-1,3,5-triazine
CID 118857458
5-(2,6-dimethylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 155602203
CID 145132296
CID 145132296

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The IUPAC name of 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (CID 153422803) is 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.
What is the SMILES notation for 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The canonical SMILES for 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is Cc1cc(C)cc(-c2c(-c3ccc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)cccc2-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)c1.
What is the InChIKey of 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The InChIKey is QVBRYIYBABNLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H60N2/c1-33-26-34(2)28-39(27-33)48-40(37-20-24-46(55-31-37)35-18-22-42-44(29-35)51(7,8)53(11,12)49(42,3)4)16-15-17-41(48)38-21-25-47(56-32-38)36-19-23-43-45(30-36)52(9,10)54(13,14)50(43,5)6/h15-32H,1-14H3.
What are the key properties of 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine has a molecular weight of 737.09 g/mol, XLogP of 14.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is sourced from PubChem (CID 153422803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).