24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione

C30H16O2 — CID 11825708

IUPAC24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione
SMILESO=c1c2ccccc2c2cccc3c4ccccc4c(=O)c4c(-c5ccccc5)c1c2c43
InChIInChI=1S/C30H16O2/c31-29-22-13-6-4-11-18(22)20-15-8-16-21-19-12-5-7-14-23(19)30(32)28-24(17-9-2-1-3-10-17)27(29)25(20)26(21)28/h1-16H
InChIKeyKYVPYQOCPQILFD-UHFFFAOYSA-N
MW408.46 g/mol
LogP6.72
Rot. Bonds1

About 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione

24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione (PubChem CID 11825708) has the molecular formula C30H16O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione.

Molecular Properties

Compound Name24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione
PubChem CID11825708
Molecular FormulaC30H16O2
Molecular Weight408.46 g/mol
Exact Mass408.12
IUPAC Name24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione
SMILESO=c1c2ccccc2c2cccc3c4ccccc4c(=O)c4c(-c5ccccc5)c1c2c43
InChIInChI=1S/C30H16O2/c31-29-22-13-6-4-11-18(22)20-15-8-16-21-19-12-5-7-14-23(19)30(32)28-24(17-9-2-1-3-10-17)27(29)25(20)26(21)28/h1-16H
InChIKeyKYVPYQOCPQILFD-UHFFFAOYSA-N
XLogP6.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azulene(4)', 'substructure': 'N/A'}

Analyze 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione with MolForge

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Related Compounds

heptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene-9,18,21-trione
CID 42643402
10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 15254856
heptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),20,22,24,27-tridecaene-3,19-dione
CID 137432761
31,32-diphenylnonacyclo[16.14.0.02,9.03,8.010,17.011,16.019,30.022,29.023,28]dotriaconta-1(32),2(9),3,5,7,10(17),11,13,15,18,20,22(29),23,25,27,30-hexadecaene
CID 134945087
nonacyclo[16.14.1.12,13.04,12.05,10.022,33.023,31.025,30.017,34]tetratriaconta-1(32),2,4(12),5,7,9,13,15,17(34),18(33),19,21,23(31),25,27,29-hexadecaene-11,24-dione
CID 139044784
1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 11393471
9,13-diphenylphenanthro[9,10-f]isoindole-10,12-dione
CID 134982818
heptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene-12,25-dione
CID 137432794
3,19-diphenylundecacyclo[19.19.1.15,9.02,20.04,18.010,15.023,36.024,29.030,35.037,41.016,42]dotetraconta-1(40),2,4(18),5,7,9(42),10,12,14,16,19,21(41),22,24,26,28,30,32,34,36,38-henicosaene
CID 142318881
1-methoxy-9,10-diphenylphenanthrene
CID 11439822
heptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene-4,19-dione
CID 137432792
heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene-5,19-dione
CID 137432784

Frequently Asked Questions

What is the IUPAC name of 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione?
The IUPAC name of 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione (CID 11825708) is 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione.
What is the SMILES notation for 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione?
The canonical SMILES for 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione is O=c1c2ccccc2c2cccc3c4ccccc4c(=O)c4c(-c5ccccc5)c1c2c43.
What is the InChIKey of 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione?
The InChIKey is KYVPYQOCPQILFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16O2/c31-29-22-13-6-4-11-18(22)20-15-8-16-21-19-12-5-7-14-23(19)30(32)28-24(17-9-2-1-3-10-17)27(29)25(20)26(21)28/h1-16H.
What are the key properties of 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione?
24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione has a molecular weight of 408.46 g/mol, XLogP of 6.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione is sourced from PubChem (CID 11825708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).