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

C32H22O — CID 155110020

IUPAC32-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
SMILESc1ccc2c(c1)Cc1ccccc1-c1c(ccc3c1oc1ccccc13)Cc1ccccc1-2
InChIInChI=1S/C32H22O/c1-4-12-25-21(9-1)19-23-11-3-6-14-27(23)31-24(20-22-10-2-5-13-26(22)25)17-18-29-28-15-7-8-16-30(28)33-32(29)31/h1-18H,19-20H2
InChIKeyBJWIBYGZAYTMRD-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.41
Rot. Bonds

About 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

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 (PubChem CID 155110020) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name32-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
PubChem CID155110020
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name32-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
SMILESc1ccc2c(c1)Cc1ccccc1-c1c(ccc3c1oc1ccccc13)Cc1ccccc1-2
InChIInChI=1S/C32H22O/c1-4-12-25-21(9-1)19-23-11-3-6-14-27(23)31-24(20-22-10-2-5-13-26(22)25)17-18-29-28-15-7-8-16-30(28)33-32(29)31/h1-18H,19-20H2
InChIKeyBJWIBYGZAYTMRD-UHFFFAOYSA-N
XLogP8.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

7H-fluoreno[4,3-b][1]benzofuran
CID 122434421
4-oxaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.019,24]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),19,21,23,27-tridecaene
CID 162215867
4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran
CID 161275768
12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 163925926
19-methylidene-30-oxahexacyclo[18.11.0.02,7.08,13.023,31.024,29]hentriaconta-1(20),2,4,6,8,10,12,15,17,21,23(31),24,26,28-tetradecaene
CID 123913374
ethene;9H-fluorene
CID 159544077
2,3,5,6-tetradeuterio-4-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9H-fluoren-4-yl)phenyl]aniline
CID 167584125
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
4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564981
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine
CID 156530666
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Cc1ccccc1-c1c(ccc3c1oc1ccccc13)Cc1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is BJWIBYGZAYTMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-4-12-25-21(9-1)19-23-11-3-6-14-27(23)31-24(20-22-10-2-5-13-26(22)25)17-18-29-28-15-7-8-16-30(28)33-32(29)31/h1-18H,19-20H2.
What are the key properties of 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?
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 has a molecular weight of 422.53 g/mol, XLogP of 8.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155110020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).