1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane

C28H30 — CID 15554646

IUPAC1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane
SMILESCc1cc(C)c(C2C3C(c4c(C)cc(C)cc4C)C23c2ccccc2)c(C)c1
InChIInChI=1S/C28H30/c1-16-12-18(3)23(19(4)13-16)25-27-26(24-20(5)14-17(2)15-21(24)6)28(25,27)22-10-8-7-9-11-22/h7-15,25-27H,1-6H3
InChIKeyGNEOWGXWAYNCJF-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.99
Rot. Bonds3

About 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane

1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane (PubChem CID 15554646) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane
PubChem CID15554646
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane
SMILESCc1cc(C)c(C2C3C(c4c(C)cc(C)cc4C)C23c2ccccc2)c(C)c1
InChIInChI=1S/C28H30/c1-16-12-18(3)23(19(4)13-16)25-27-26(24-20(5)14-17(2)15-21(24)6)28(25,27)22-10-8-7-9-11-22/h7-15,25-27H,1-6H3
InChIKeyGNEOWGXWAYNCJF-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-9,9-diphenylfluorene
CID 144876512
2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid
CID 82159024
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 21202079
(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane
CID 10569042
4-phenylcuban-1-amine
CID 102362508
diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane
CID 177438065
[(E)-2-phenylethenyl]-(2,4,6-trimethylphenyl)iodanium
CID 10526902
1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene
CID 155933915
(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473558
5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol
CID 53304249
(1S,2S,6R,7S)-4-(2,4-dimethylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 98044889

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane?
The IUPAC name of 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane (CID 15554646) is 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane?
The canonical SMILES for 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane is Cc1cc(C)c(C2C3C(c4c(C)cc(C)cc4C)C23c2ccccc2)c(C)c1.
What is the InChIKey of 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane?
The InChIKey is GNEOWGXWAYNCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-16-12-18(3)23(19(4)13-16)25-27-26(24-20(5)14-17(2)15-21(24)6)28(25,27)22-10-8-7-9-11-22/h7-15,25-27H,1-6H3.
What are the key properties of 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane?
1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane has a molecular weight of 366.55 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 15554646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).