1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline)

C40H32N2O2 — CID 139190544

IUPAC1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline)
SMILESCc1cccc2cccnc12.Cc1cccc2cccnc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2.2C10H9N/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-8-4-2-5-9-6-3-7-11-10(8)9/h1-12,21-22H;2*2-7H,1H3
InChIKeyXAICRNJWRLELDP-UHFFFAOYSA-N
MW572.71 g/mol
LogP10.16
Rot. Bonds1

About 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline)

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline) (PubChem CID 139190544) has the molecular formula C40H32N2O2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline).

Molecular Properties

Compound Name1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline)
PubChem CID139190544
Molecular FormulaC40H32N2O2
Molecular Weight572.71 g/mol
Exact Mass572.25
IUPAC Name1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline)
SMILESCc1cccc2cccnc12.Cc1cccc2cccnc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2.2C10H9N/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-8-4-2-5-9-6-3-7-11-10(8)9/h1-12,21-22H;2*2-7H,1H3
InChIKeyXAICRNJWRLELDP-UHFFFAOYSA-N
XLogP10.16
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 510.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
CID 44467662
(1S,14R,15R)-25-(2-methylpropyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
CID 45270599
CU-CPT9b
CID 135567366
9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874
Phenol, p-[2-(4-quinolyl)vinyl]-
CID 741423
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
(S)-6-(propyl(2-(4-(quinolin-4-yl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 46180160
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
Dibenzo[f,h]quinolin-7-ol
CID 219962
3-[(7R,8R,9aR)-7,8-dimethyl-2-(quinolin-4-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094382
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
5-({Benzyl[(8-hydroxy-5-quinolinyl)methyl]amino}methyl)-8-quinolinol
CID 25015251

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline)?
The IUPAC name of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline) (CID 139190544) is 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline).
What is the SMILES notation for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline)?
The canonical SMILES for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline) is Cc1cccc2cccnc12.Cc1cccc2cccnc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline)?
The InChIKey is XAICRNJWRLELDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.2C10H9N/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-8-4-2-5-9-6-3-7-11-10(8)9/h1-12,21-22H;2*2-7H,1H3.
What are the key properties of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline)?
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline) has a molecular weight of 572.71 g/mol, XLogP of 10.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(8-methylquinoline) is sourced from PubChem (CID 139190544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).