naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine

C33H27NO — CID 174508021

IUPACnaphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine
SMILESOc1cccc2ccccc12.c1ccc2c(c1)ccc1c3c(ccc12)C(c1ccncc1)CCC3
InChIInChI=1S/C23H19N.C10H8O/c1-2-5-18-16(4-1)8-9-23-20-7-3-6-19(17-12-14-24-15-13-17)21(20)10-11-22(18)23;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4-5,8-15,19H,3,6-7H2;1-7,11H
InChIKeyWMMWOXNRRUCJEQ-UHFFFAOYSA-N
MW453.59 g/mol
LogP8.40
Rot. Bonds1

About naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine

naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine (PubChem CID 174508021) has the molecular formula C33H27NO and a molecular weight of 453.59 g/mol. Its IUPAC name is naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine.

Molecular Properties

Compound Namenaphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine
PubChem CID174508021
Molecular FormulaC33H27NO
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC Namenaphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine
SMILESOc1cccc2ccccc12.c1ccc2c(c1)ccc1c3c(ccc12)C(c1ccncc1)CCC3
InChIInChI=1S/C23H19N.C10H8O/c1-2-5-18-16(4-1)8-9-23-20-7-3-6-19(17-12-14-24-15-13-17)21(20)10-11-22(18)23;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4-5,8-15,19H,3,6-7H2;1-7,11H
InChIKeyWMMWOXNRRUCJEQ-UHFFFAOYSA-N
XLogP8.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

isoquinoline-6,7-diol;1-(4-nitrophenyl)-1,2,3,4-tetrahydrochrysene
CID 174413229
4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine
CID 174447083
2-(1,2,3,4-tetrahydrochrysen-1-yl)furan
CID 174587497
azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride
CID 175285254
azane;1,2,3,4-tetrahydrochrysen-1-amine;hydrate
CID 174715110
1-(bromomethyl)-1,2,3,4-tetrahydrochrysene
CID 174632843
3-(1,2,3,4-tetrahydrochrysen-1-yl)propan-1-ol
CID 174262424
2-(1,2,3,4-tetrahydrochrysen-1-yl)quinoline-4-carbaldehyde
CID 174596585
bis(cyclopenta-1,3-diene);1,2,3,4-tetrahydrochrysen-1-ylmethanediol
CID 174916141
1-[2-bromo-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174834129
2-[2-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-yl]but-3-enoic acid
CID 174544039
1-methyl-1,2,3,4-tetrahydrochrysene;quinoline
CID 174893501

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine?
The IUPAC name of naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine (CID 174508021) is naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine.
What is the SMILES notation for naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine?
The canonical SMILES for naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine is Oc1cccc2ccccc12.c1ccc2c(c1)ccc1c3c(ccc12)C(c1ccncc1)CCC3.
What is the InChIKey of naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine?
The InChIKey is WMMWOXNRRUCJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N.C10H8O/c1-2-5-18-16(4-1)8-9-23-20-7-3-6-19(17-12-14-24-15-13-17)21(20)10-11-22(18)23;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4-5,8-15,19H,3,6-7H2;1-7,11H.
What are the key properties of naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine?
naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine has a molecular weight of 453.59 g/mol, XLogP of 8.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ol;4-(1,2,3,4-tetrahydrochrysen-1-yl)pyridine is sourced from PubChem (CID 174508021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).