(1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol

C38H30O2 — CID 102089896

IUPAC(1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol
SMILESCO[C@]1(c2cccc3ccccc23)c2ccccc2[C@H]2C[C@@H]1c1ccccc1[C@]2(O)c1cccc2ccccc12
InChIInChI=1S/C38H30O2/c1-40-38(33-23-11-15-26-13-3-5-17-28(26)33)34-21-9-7-19-30(34)35-24-36(38)29-18-6-8-20-32(29)37(35,39)31-22-10-14-25-12-2-4-16-27(25)31/h2-23,35-36,39H,24H2,1H3/t35-,36-,37-,38-/m1/s1
InChIKeyIINNKNGWMQRWBZ-SIMZDOAPSA-N
MW518.66 g/mol
LogP8.40
Rot. Bonds3

About (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol

(1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol (PubChem CID 102089896) has the molecular formula C38H30O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol.

Molecular Properties

Compound Name(1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol
PubChem CID102089896
Molecular FormulaC38H30O2
Molecular Weight518.66 g/mol
Exact Mass518.22
IUPAC Name(1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol
SMILESCO[C@]1(c2cccc3ccccc23)c2ccccc2[C@H]2C[C@@H]1c1ccccc1[C@]2(O)c1cccc2ccccc12
InChIInChI=1S/C38H30O2/c1-40-38(33-23-11-15-26-13-3-5-17-28(26)33)34-21-9-7-19-30(34)35-24-36(38)29-18-6-8-20-32(29)37(35,39)31-22-10-14-25-12-2-4-16-27(25)31/h2-23,35-36,39H,24H2,1H3/t35-,36-,37-,38-/m1/s1
InChIKeyIINNKNGWMQRWBZ-SIMZDOAPSA-N
XLogP8.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol?
The IUPAC name of (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol (CID 102089896) is (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol.
What is the SMILES notation for (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol?
The canonical SMILES for (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol is CO[C@]1(c2cccc3ccccc23)c2ccccc2[C@H]2C[C@@H]1c1ccccc1[C@]2(O)c1cccc2ccccc12.
What is the InChIKey of (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol?
The InChIKey is IINNKNGWMQRWBZ-SIMZDOAPSA-N. The full InChI is InChI=1S/C38H30O2/c1-40-38(33-23-11-15-26-13-3-5-17-28(26)33)34-21-9-7-19-30(34)35-24-36(38)29-18-6-8-20-32(29)37(35,39)31-22-10-14-25-12-2-4-16-27(25)31/h2-23,35-36,39H,24H2,1H3/t35-,36-,37-,38-/m1/s1.
What are the key properties of (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol?
(1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol has a molecular weight of 518.66 g/mol, XLogP of 8.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,9R,16S)-16-methoxy-8,16-dinaphthalen-1-yltetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-ol is sourced from PubChem (CID 102089896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).