octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol

C34H20O — CID 87638914

IUPACoctacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
SMILESOc1cccc2cc3cc4c(ccc5cc6cc7cc8ccccc8cc7cc6cc54)cc3cc12
InChIInChI=1S/C34H20O/c35-34-7-3-6-22-12-28-17-31-24(14-29(28)19-33(22)34)9-8-23-13-27-15-25-10-20-4-1-2-5-21(20)11-26(25)16-30(27)18-32(23)31/h1-19,35H
InChIKeyYDRPLRKTQPOSIL-UHFFFAOYSA-N
MW444.53 g/mol
LogP9.46
Rot. Bonds

About octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol

octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol (PubChem CID 87638914) has the molecular formula C34H20O and a molecular weight of 444.53 g/mol. Its IUPAC name is octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol.

Molecular Properties

Compound Nameoctacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
PubChem CID87638914
Molecular FormulaC34H20O
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC Nameoctacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
SMILESOc1cccc2cc3cc4c(ccc5cc6cc7cc8ccccc8cc7cc6cc54)cc3cc12
InChIInChI=1S/C34H20O/c35-34-7-3-6-22-12-28-17-31-24(14-29(28)19-33(22)34)9-8-23-13-27-15-25-10-20-4-1-2-5-21(20)11-26(25)16-30(27)18-32(23)31/h1-19,35H
InChIKeyYDRPLRKTQPOSIL-UHFFFAOYSA-N
XLogP9.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 59.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol with MolForge

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Related Compounds

heptacen-1-ol
CID 150633624
6-sulfanylpentacen-1-ol
CID 140731781
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
azane;benzo[a]anthracen-1-ol
CID 87178862
benzo[a]anthracen-1-ol;methane
CID 88728153
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 89262500
CID 89262500
pentaphene;perylene
CID 159419403
3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
CID 59805099
hexaphen-1-ylboronic acid
CID 175577698
CID 157090523
CID 157090523
benzo[a]anthracene;hydrobromide
CID 159787028

Frequently Asked Questions

What is the IUPAC name of octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol?
The IUPAC name of octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol (CID 87638914) is octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol.
What is the SMILES notation for octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol?
The canonical SMILES for octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol is Oc1cccc2cc3cc4c(ccc5cc6cc7cc8ccccc8cc7cc6cc54)cc3cc12.
What is the InChIKey of octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol?
The InChIKey is YDRPLRKTQPOSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20O/c35-34-7-3-6-22-12-28-17-31-24(14-29(28)19-33(22)34)9-8-23-13-27-15-25-10-20-4-1-2-5-21(20)11-26(25)16-30(27)18-32(23)31/h1-19,35H.
What are the key properties of octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol?
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol has a molecular weight of 444.53 g/mol, XLogP of 9.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol is sourced from PubChem (CID 87638914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).