10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene]

C39H24O2 — CID 139186267

IUPAC10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene]
SMILESc1ccc2c(c1)Cc1cc3c(cc1O2)C1(c2ccccc2-3)c2ccccc2-c2cc3c(cc21)Oc1ccccc1C3
InChIInChI=1S/C39H24O2/c1-7-15-35-23(9-1)17-25-19-29-27-11-3-5-13-31(27)39(33(29)21-37(25)40-35)32-14-6-4-12-28(32)30-20-26-18-24-10-2-8-16-36(24)41-38(26)22-34(30)39/h1-16,19-22H,17-18H2
InChIKeyBPEJYCPMNWHBKU-UHFFFAOYSA-N
MW524.62 g/mol
LogP9.42
Rot. Bonds

About 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene]

10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene] (PubChem CID 139186267) has the molecular formula C39H24O2 and a molecular weight of 524.62 g/mol. Its IUPAC name is 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene].

Molecular Properties

Compound Name10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene]
PubChem CID139186267
Molecular FormulaC39H24O2
Molecular Weight524.62 g/mol
Exact Mass524.18
IUPAC Name10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene]
SMILESc1ccc2c(c1)Cc1cc3c(cc1O2)C1(c2ccccc2-3)c2ccccc2-c2cc3c(cc21)Oc1ccccc1C3
InChIInChI=1S/C39H24O2/c1-7-15-35-23(9-1)17-25-19-29-27-11-3-5-13-31(27)39(33(29)21-37(25)40-35)32-14-6-4-12-28(32)30-20-26-18-24-10-2-8-16-36(24)41-38(26)22-34(30)39/h1-16,19-22H,17-18H2
InChIKeyBPEJYCPMNWHBKU-UHFFFAOYSA-N
XLogP9.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene] with MolForge

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Related Compounds

13,13,14,14-tetramethyl-2-oxatetracyclo[8.6.0.03,8.012,15]hexadeca-1(16),3,5,7,10,12(15)-hexaene
CID 146512597
biphenylene;9H-xanthene
CID 69049558
9H-xanthene
CID 7107
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
CID 160728687
N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine
CID 138582612
anthracene;9H-xanthene
CID 141402821
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
CID 158369340
CID 158369340
9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol
CID 158296275
11H-benzo[c][1]benzoxepin-6-one
CID 827435
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311

Frequently Asked Questions

What is the IUPAC name of 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene]?
The IUPAC name of 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene] (CID 139186267) is 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene].
What is the SMILES notation for 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene]?
The canonical SMILES for 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene] is c1ccc2c(c1)Cc1cc3c(cc1O2)C1(c2ccccc2-3)c2ccccc2-c2cc3c(cc21)Oc1ccccc1C3.
What is the InChIKey of 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene]?
The InChIKey is BPEJYCPMNWHBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24O2/c1-7-15-35-23(9-1)17-25-19-29-27-11-3-5-13-31(27)39(33(29)21-37(25)40-35)32-14-6-4-12-28(32)30-20-26-18-24-10-2-8-16-36(24)41-38(26)22-34(30)39/h1-16,19-22H,17-18H2.
What are the key properties of 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene]?
10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene] has a molecular weight of 524.62 g/mol, XLogP of 9.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10'-spirobi[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene] is sourced from PubChem (CID 139186267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).