CID 24746170

C34H45NOZr+2 — CID 24746170

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[O-2].[Zr+4].c1ccc(CCCc2ccncc2)cc1
InChIInChI=1S/C14H15N.2C10H15.O.Zr/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;2*1-6-7(2)9(4)10(5)8(6)3;;/h1-3,5-6,9-12H,4,7-8H2;2*1-5H3;;/q;;;-2;+4
InChIKeyJWDABTRFHZRIBY-UHFFFAOYSA-N
MW574.96 g/mol
LogP9.08
Rot. Bonds4

About CID 24746170

CID 24746170 (PubChem CID 24746170) has the molecular formula C34H45NOZr+2 and a molecular weight of 574.96 g/mol.

Molecular Properties

Compound NameCID 24746170
PubChem CID24746170
Molecular FormulaC34H45NOZr+2
Molecular Weight574.96 g/mol
Exact Mass573.25
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[O-2].[Zr+4].c1ccc(CCCc2ccncc2)cc1
InChIInChI=1S/C14H15N.2C10H15.O.Zr/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;2*1-6-7(2)9(4)10(5)8(6)3;;/h1-3,5-6,9-12H,4,7-8H2;2*1-5H3;;/q;;;-2;+4
InChIKeyJWDABTRFHZRIBY-UHFFFAOYSA-N
XLogP9.08
TPSA41.39 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.96
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(6-phenylhexyl)pyridine;hydrochloride
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1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
dodecylbenzene;pyridine
CID 174718010
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
4-phenylbutylbenzene
CID 141301927
4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride
CID 117067741
N-benzyl-N-(3-pyridin-4-ylpropyl)aniline
CID 155930711
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
4-(7-phenylheptan-2-yl)pyridine
CID 14883828

Frequently Asked Questions

What is the IUPAC name of CID 24746170?
The IUPAC name of CID 24746170 (CID 24746170) is not available.
What is the SMILES notation for CID 24746170?
The canonical SMILES for CID 24746170 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[O-2].[Zr+4].c1ccc(CCCc2ccncc2)cc1.
What is the InChIKey of CID 24746170?
The InChIKey is JWDABTRFHZRIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.2C10H15.O.Zr/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;2*1-6-7(2)9(4)10(5)8(6)3;;/h1-3,5-6,9-12H,4,7-8H2;2*1-5H3;;/q;;;-2;+4.
What are the key properties of CID 24746170?
CID 24746170 has a molecular weight of 574.96 g/mol, XLogP of 9.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24746170 is sourced from PubChem (CID 24746170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).