2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol

C28H23NO — CID 175277096

IUPAC2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol
SMILESOc1c(NC2Cc3c(ccc4ccccc34)C3=C2CCC=C3)ccc2ccccc12
InChIInChI=1S/C28H23NO/c30-28-21-10-4-2-8-19(21)14-16-26(28)29-27-17-25-20-9-3-1-7-18(20)13-15-23(25)22-11-5-6-12-24(22)27/h1-5,7-11,13-16,27,29-30H,6,12,17H2
InChIKeyNLEHPLIMGZVEMF-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.84
Rot. Bonds2

About 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol

2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol (PubChem CID 175277096) has the molecular formula C28H23NO and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol
PubChem CID175277096
Molecular FormulaC28H23NO
Molecular Weight389.50 g/mol
Exact Mass389.18
IUPAC Name2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol
SMILESOc1c(NC2Cc3c(ccc4ccccc34)C3=C2CCC=C3)ccc2ccccc12
InChIInChI=1S/C28H23NO/c30-28-21-10-4-2-8-19(21)14-16-26(28)29-27-17-25-20-9-3-1-7-18(20)13-15-23(25)22-11-5-6-12-24(22)27/h1-5,7-11,13-16,27,29-30H,6,12,17H2
InChIKeyNLEHPLIMGZVEMF-UHFFFAOYSA-N
XLogP6.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol?
The IUPAC name of 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol (CID 175277096) is 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol.
What is the SMILES notation for 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol?
The canonical SMILES for 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol is Oc1c(NC2Cc3c(ccc4ccccc34)C3=C2CCC=C3)ccc2ccccc12.
What is the InChIKey of 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol?
The InChIKey is NLEHPLIMGZVEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO/c30-28-21-10-4-2-8-19(21)14-16-26(28)29-27-17-25-20-9-3-1-7-18(20)13-15-23(25)22-11-5-6-12-24(22)27/h1-5,7-11,13-16,27,29-30H,6,12,17H2.
What are the key properties of 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol?
2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol has a molecular weight of 389.50 g/mol, XLogP of 6.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol is sourced from PubChem (CID 175277096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).