1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol

C35H33NO3 — CID 136690998

IUPAC1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3cc4ccccc4c(-c4c(O)ccc5ccccc45)c3O)n1)C2
InChIInChI=1S/C35H33NO3/c1-33(2)23-17-18-34(33,3)35(39,20-23)29-14-8-13-27(36-29)26-19-22-10-5-7-12-25(22)31(32(26)38)30-24-11-6-4-9-21(24)15-16-28(30)37/h4-16,19,23,37-39H,17-18,20H2,1-3H3/t23-,34-,35+/m1/s1
InChIKeyAJDNCMQEQYUOCN-LMWZEWGUSA-N
MW515.65 g/mol
LogP8.17
Rot. Bonds3

About 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol

1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol (PubChem CID 136690998) has the molecular formula C35H33NO3 and a molecular weight of 515.65 g/mol. Its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol
PubChem CID136690998
Molecular FormulaC35H33NO3
Molecular Weight515.65 g/mol
Exact Mass515.25
IUPAC Name1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3cc4ccccc4c(-c4c(O)ccc5ccccc45)c3O)n1)C2
InChIInChI=1S/C35H33NO3/c1-33(2)23-17-18-34(33,3)35(39,20-23)29-14-8-13-27(36-29)26-19-22-10-5-7-12-25(22)31(32(26)38)30-24-11-6-4-9-21(24)15-16-28(30)37/h4-16,19,23,37-39H,17-18,20H2,1-3H3/t23-,34-,35+/m1/s1
InChIKeyAJDNCMQEQYUOCN-LMWZEWGUSA-N
XLogP8.17
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 58.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol with MolForge

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Related Compounds

3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135524809
3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136810654
(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 10721413
1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol
CID 177474104
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
3-hydroxy-4-(2-hydroxynaphthalen-1-yl)-N-methylnaphthalene-2-carboxamide
CID 101061990
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854
1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol
CID 20530285
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide
CID 158951358
1,7,7-trimethyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]bicyclo[2.2.1]heptan-2-ol
CID 139724938

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol?
The IUPAC name of 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol (CID 136690998) is 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3cc4ccccc4c(-c4c(O)ccc5ccccc45)c3O)n1)C2.
What is the InChIKey of 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol?
The InChIKey is AJDNCMQEQYUOCN-LMWZEWGUSA-N. The full InChI is InChI=1S/C35H33NO3/c1-33(2)23-17-18-34(33,3)35(39,20-23)29-14-8-13-27(36-29)26-19-22-10-5-7-12-25(22)31(32(26)38)30-24-11-6-4-9-21(24)15-16-28(30)37/h4-16,19,23,37-39H,17-18,20H2,1-3H3/t23-,34-,35+/m1/s1.
What are the key properties of 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol?
1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol has a molecular weight of 515.65 g/mol, XLogP of 8.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]naphthalen-2-ol is sourced from PubChem (CID 136690998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).