(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene

C29H32 — CID 158429198

IUPAC(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene
SMILESC#CCC(CC(CC(C)CC)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32/c1-4-21-29(27-17-11-7-12-18-27,28-19-13-8-14-20-28)23-26(22-24(3)5-2)25-15-9-6-10-16-25/h1,6-20,24,26H,5,21-23H2,2-3H3
InChIKeyHBLFXNIHDBLBHP-UHFFFAOYSA-N
MW380.58 g/mol
LogP7.61
Rot. Bonds9

About (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene

(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene (PubChem CID 158429198) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene.

Molecular Properties

Compound Name(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene
PubChem CID158429198
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Name(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene
SMILESC#CCC(CC(CC(C)CC)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32/c1-4-21-29(27-17-11-7-12-18-27,28-19-13-8-14-20-28)23-26(22-24(3)5-2)25-15-9-6-10-16-25/h1,6-20,24,26H,5,21-23H2,2-3H3
InChIKeyHBLFXNIHDBLBHP-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene
CID 161058351
4-[4,6,8-tris(4-cyanophenyl)-14-methyl-10,10,12-triphenylhexadecan-2-yl]benzonitrile
CID 166056719
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791
methyl 4-[4-(3-hydroxypropyl)phenyl]-2,8-dimethyl-4,6-diphenyldecanoate
CID 176587316
5-O-butyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate
CID 158276501
3-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-7-methyl-3,5-diphenylnonan-1-ol
CID 122498783
[4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene
CID 150072887
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
azane;pentan-3-ylbenzene
CID 19774895
methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate
CID 176587327
methyl 4-(4-fluorophenyl)-4-[4-(10-hydroxydecoxy)phenyl]-2,8-dimethyl-6-phenyldecanoate
CID 176587304

Frequently Asked Questions

What is the IUPAC name of (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene?
The IUPAC name of (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene (CID 158429198) is (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene.
What is the SMILES notation for (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene?
The canonical SMILES for (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene is C#CCC(CC(CC(C)CC)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene?
The InChIKey is HBLFXNIHDBLBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32/c1-4-21-29(27-17-11-7-12-18-27,28-19-13-8-14-20-28)23-26(22-24(3)5-2)25-15-9-6-10-16-25/h1,6-20,24,26H,5,21-23H2,2-3H3.
What are the key properties of (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene?
(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene has a molecular weight of 380.58 g/mol, XLogP of 7.61, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene is sourced from PubChem (CID 158429198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).