28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene

C27H16O — CID 158655938

IUPAC28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene
SMILESc1ccc2cc3c(cc2c1)oc1c2c(ccc13)Cc1c-2ccc2ccccc12
InChIInChI=1S/C27H16O/c1-2-7-18-15-25-24(13-17(18)6-1)22-12-10-19-14-23-20-8-4-3-5-16(20)9-11-21(23)26(19)27(22)28-25/h1-13,15H,14H2
InChIKeyFVRPLHMJRDFECH-UHFFFAOYSA-N
MW356.42 g/mol
LogP7.46
Rot. Bonds

About 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene

28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene (PubChem CID 158655938) has the molecular formula C27H16O and a molecular weight of 356.42 g/mol. Its IUPAC name is 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene.

Molecular Properties

Compound Name28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene
PubChem CID158655938
Molecular FormulaC27H16O
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene
SMILESc1ccc2cc3c(cc2c1)oc1c2c(ccc13)Cc1c-2ccc2ccccc12
InChIInChI=1S/C27H16O/c1-2-7-18-15-25-24(13-17(18)6-1)22-12-10-19-14-23-20-8-4-3-5-16(20)9-11-21(23)26(19)27(22)28-25/h1-13,15H,14H2
InChIKeyFVRPLHMJRDFECH-UHFFFAOYSA-N
XLogP7.46
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene with MolForge

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Related Compounds

2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine;28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene;13-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)-28-oxa-13-azaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene
CID 158655937
13-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene
CID 158221573
28-thiaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene
CID 161448851
6-phenyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 162217448
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
7H-fluoreno[4,3-b][1]benzofuran
CID 122434421
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
CID 159117646
32-oxaheptacyclo[20.11.0.02,7.09,14.015,20.025,33.026,31]tritriaconta-1(22),2,4,6,9,11,13,15,17,19,23,25(33),26,28,30-pentadecaene
CID 155110020
4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 135183399
13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.019,24]octacosa-1(17),2(14),3,5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 158729124
18-bromo-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186602
7-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-2-yl]-11H-benzo[a]fluorene
CID 166501670

Frequently Asked Questions

What is the IUPAC name of 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene?
The IUPAC name of 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene (CID 158655938) is 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene.
What is the SMILES notation for 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene?
The canonical SMILES for 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene is c1ccc2cc3c(cc2c1)oc1c2c(ccc13)Cc1c-2ccc2ccccc12.
What is the InChIKey of 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene?
The InChIKey is FVRPLHMJRDFECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16O/c1-2-7-18-15-25-24(13-17(18)6-1)22-12-10-19-14-23-20-8-4-3-5-16(20)9-11-21(23)26(19)27(22)28-25/h1-13,15H,14H2.
What are the key properties of 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene?
28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene has a molecular weight of 356.42 g/mol, XLogP of 7.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 28-oxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26-tridecaene is sourced from PubChem (CID 158655938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).