25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene

C27H16O — CID 161338365

IUPAC25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
SMILESc1ccc2c(c1)Cc1c-2c2ccccc2c2c1ccc1oc3ccccc3c12
InChIInChI=1S/C27H16O/c1-2-8-17-16(7-1)15-22-20-13-14-24-27(21-11-5-6-12-23(21)28-24)26(20)19-10-4-3-9-18(19)25(17)22/h1-14H,15H2
InChIKeyRHKJSGUXEGFNAM-UHFFFAOYSA-N
MW356.42 g/mol
LogP7.46
Rot. Bonds

About 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene

25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene (PubChem CID 161338365) has the molecular formula C27H16O and a molecular weight of 356.42 g/mol. Its IUPAC name is 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene.

Molecular Properties

Compound Name25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
PubChem CID161338365
Molecular FormulaC27H16O
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
SMILESc1ccc2c(c1)Cc1c-2c2ccccc2c2c1ccc1oc3ccccc3c12
InChIInChI=1S/C27H16O/c1-2-8-17-16(7-1)15-22-20-13-14-24-27(21-11-5-6-12-23(21)28-24)26(20)19-10-4-3-9-18(19)25(17)22/h1-14H,15H2
InChIKeyRHKJSGUXEGFNAM-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

Computed Properties (RDKit)

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

Analyze 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene with MolForge

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Related Compounds

dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
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
6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
CID 118655954
6-[10-(2,6-diphenylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 171447365
pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-3-carbaldehyde
CID 177323935
N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine
CID 166134830
4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)-N,N-diphenylaniline
CID 167121384
5-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159714513
4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541
1-(1-dibenzofuran-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
CID 166134395
4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine
CID 166133942
5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 153472081

Frequently Asked Questions

What is the IUPAC name of 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?
The IUPAC name of 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene (CID 161338365) is 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene.
What is the SMILES notation for 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?
The canonical SMILES for 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene is c1ccc2c(c1)Cc1c-2c2ccccc2c2c1ccc1oc3ccccc3c12.
What is the InChIKey of 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?
The InChIKey is RHKJSGUXEGFNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16O/c1-2-8-17-16(7-1)15-22-20-13-14-24-27(21-11-5-6-12-23(21)28-24)26(20)19-10-4-3-9-18(19)25(17)22/h1-14H,15H2.
What are the key properties of 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?
25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-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 25-oxaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene is sourced from PubChem (CID 161338365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).