undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene

C48H28 — CID 140861554

IUPACundecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
SMILESc1ccc2c(c1)-c1ccc3c(ccc4c5ccccc5ccc34)c1-c1ccccc1-c1ccc3c(ccc4c5ccccc5ccc34)c1-2
InChIInChI=1S/C48H28/c1-3-11-31-29(9-1)17-19-37-35(31)21-25-45-39(37)23-27-43-34-14-6-8-16-42(34)48-44(33-13-5-7-15-41(33)47(43)45)28-24-40-38-20-18-30-10-2-4-12-32(30)36(38)22-26-46(40)48/h1-28H/b43-34-,44-33-,47-41+,48-42+
InChIKeyPVLUUXODZSXWKP-FPSFJLAHSA-N
MW604.75 g/mol
LogP13.59
Rot. Bonds

About undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene

undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene (PubChem CID 140861554) has the molecular formula C48H28 and a molecular weight of 604.75 g/mol. Its IUPAC name is undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene.

Molecular Properties

Compound Nameundecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
PubChem CID140861554
Molecular FormulaC48H28
Molecular Weight604.75 g/mol
Exact Mass604.22
IUPAC Nameundecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
SMILESc1ccc2c(c1)-c1ccc3c(ccc4c5ccccc5ccc34)c1-c1ccccc1-c1ccc3c(ccc4c5ccccc5ccc34)c1-2
InChIInChI=1S/C48H28/c1-3-11-31-29(9-1)17-19-37-35(31)21-25-45-39(37)23-27-43-34-14-6-8-16-42(34)48-44(33-13-5-7-15-41(33)47(43)45)28-24-40-38-20-18-30-10-2-4-12-32(30)36(38)22-26-46(40)48/h1-28H/b43-34-,44-33-,47-41+,48-42+
InChIKeyPVLUUXODZSXWKP-FPSFJLAHSA-N
XLogP13.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
CID 166133840
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
CID 175811035
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
chrysene;iron
CID 157379031
1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran
CID 166545020
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286

Frequently Asked Questions

What is the IUPAC name of undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene?
The IUPAC name of undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene (CID 140861554) is undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene.
What is the SMILES notation for undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene?
The canonical SMILES for undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene is c1ccc2c(c1)-c1ccc3c(ccc4c5ccccc5ccc34)c1-c1ccccc1-c1ccc3c(ccc4c5ccccc5ccc34)c1-2.
What is the InChIKey of undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene?
The InChIKey is PVLUUXODZSXWKP-FPSFJLAHSA-N. The full InChI is InChI=1S/C48H28/c1-3-11-31-29(9-1)17-19-37-35(31)21-25-45-39(37)23-27-43-34-14-6-8-16-42(34)48-44(33-13-5-7-15-41(33)47(43)45)28-24-40-38-20-18-30-10-2-4-12-32(30)36(38)22-26-46(40)48/h1-28H/b43-34-,44-33-,47-41+,48-42+.
What are the key properties of undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene?
undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene has a molecular weight of 604.75 g/mol, XLogP of 13.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene is sourced from PubChem (CID 140861554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).