nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene

C48H44 — CID 135033819

IUPACnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
SMILESc1cc2ccc1-c1ccc(cc1)C1CCC(CC1)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C1CCC(CC1)c1ccc-2cc1
InChIInChI=1S/C48H44/c1-2-34-4-3-33(1)35-5-7-37(8-6-35)39-13-15-41(16-14-39)43-21-23-45(24-22-43)47-29-31-48(32-30-47)46-27-25-44(26-28-46)42-19-17-40(18-20-42)38-11-9-36(34)10-12-38/h1-12,21-32,39-42H,13-20H2
InChIKeyZZRNQQRQBYWSDW-UHFFFAOYSA-N
MW620.88 g/mol
LogP13.55
Rot. Bonds

About nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene

nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene (PubChem CID 135033819) has the molecular formula C48H44 and a molecular weight of 620.88 g/mol. Its IUPAC name is nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene.

Molecular Properties

Compound Namenonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
PubChem CID135033819
Molecular FormulaC48H44
Molecular Weight620.88 g/mol
Exact Mass620.34
IUPAC Namenonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
SMILESc1cc2ccc1-c1ccc(cc1)C1CCC(CC1)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C1CCC(CC1)c1ccc-2cc1
InChIInChI=1S/C48H44/c1-2-34-4-3-33(1)35-5-7-37(8-6-35)39-13-15-41(16-14-39)43-21-23-45(24-22-43)47-29-31-48(32-30-47)46-27-25-44(26-28-46)42-19-17-40(18-20-42)38-11-9-36(34)10-12-38/h1-12,21-32,39-42H,13-20H2
InChIKeyZZRNQQRQBYWSDW-UHFFFAOYSA-N
XLogP13.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.88
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene with MolForge

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-[4-(4-cyclohexylphenyl)phenyl]cyclohexan-1-amine
CID 139515276
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
4-N-[4-(4-cyclopropylphenyl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 54264729
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene
CID 170293668
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633

Frequently Asked Questions

What is the IUPAC name of nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene?
The IUPAC name of nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene (CID 135033819) is nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene.
What is the SMILES notation for nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene?
The canonical SMILES for nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene is c1cc2ccc1-c1ccc(cc1)C1CCC(CC1)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C1CCC(CC1)c1ccc-2cc1.
What is the InChIKey of nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene?
The InChIKey is ZZRNQQRQBYWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44/c1-2-34-4-3-33(1)35-5-7-37(8-6-35)39-13-15-41(16-14-39)43-21-23-45(24-22-43)47-29-31-48(32-30-47)46-27-25-44(26-28-46)42-19-17-40(18-20-42)38-11-9-36(34)10-12-38/h1-12,21-32,39-42H,13-20H2.
What are the key properties of nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene?
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene has a molecular weight of 620.88 g/mol, XLogP of 13.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene is sourced from PubChem (CID 135033819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).