6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol

C43H26O — CID 91360899

IUPAC6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol
SMILESOC1c2cccc3ccc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5cccc1c5c4c23
InChIInChI=1S/C43H26O/c44-43-35-17-7-11-26-20-22-29-24-37(34-16-8-18-36(43)42(34)40(29)39(26)35)41-32-14-5-3-12-30(32)38(31-13-4-6-15-33(31)41)28-21-19-25-9-1-2-10-27(25)23-28/h1-24,43-44H
InChIKeyREAJMADLZQXVJW-UHFFFAOYSA-N
MW558.68 g/mol
LogP11.33
Rot. Bonds2

About 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol

6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol (PubChem CID 91360899) has the molecular formula C43H26O and a molecular weight of 558.68 g/mol. Its IUPAC name is 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol.

Molecular Properties

Compound Name6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol
PubChem CID91360899
Molecular FormulaC43H26O
Molecular Weight558.68 g/mol
Exact Mass558.20
IUPAC Name6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol
SMILESOC1c2cccc3ccc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5cccc1c5c4c23
InChIInChI=1S/C43H26O/c44-43-35-17-7-11-26-20-22-29-24-37(34-16-8-18-36(43)42(34)40(29)39(26)35)41-32-14-5-3-12-30(32)38(31-13-4-6-15-33(31)41)28-21-19-25-9-1-2-10-27(25)23-28/h1-24,43-44H
InChIKeyREAJMADLZQXVJW-UHFFFAOYSA-N
XLogP11.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 511.33
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 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol?
The IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol (CID 91360899) is 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol.
What is the SMILES notation for 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol?
The canonical SMILES for 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol is OC1c2cccc3ccc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5cccc1c5c4c23.
What is the InChIKey of 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol?
The InChIKey is REAJMADLZQXVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26O/c44-43-35-17-7-11-26-20-22-29-24-37(34-16-8-18-36(43)42(34)40(29)39(26)35)41-32-14-5-3-12-30(32)38(31-13-4-6-15-33(31)41)28-21-19-25-9-1-2-10-27(25)23-28/h1-24,43-44H.
What are the key properties of 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol?
6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol has a molecular weight of 558.68 g/mol, XLogP of 11.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaen-19-ol is sourced from PubChem (CID 91360899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).