4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine

C28H23N — CID 174447083

IUPAC4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine
SMILESNc1ccc(C2CCCc3c2ccc2c3ccc3ccccc32)c2ccccc12
InChIInChI=1S/C28H23N/c29-28-17-16-26(22-8-3-4-9-27(22)28)21-11-5-10-20-24-13-12-18-6-1-2-7-19(18)23(24)14-15-25(20)21/h1-4,6-9,12-17,21H,5,10-11,29H2
InChIKeyVQXXZAQHMBDDIX-UHFFFAOYSA-N
MW373.50 g/mol
LogP7.20
Rot. Bonds1

About 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine

4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine (PubChem CID 174447083) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine
PubChem CID174447083
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine
SMILESNc1ccc(C2CCCc3c2ccc2c3ccc3ccccc32)c2ccccc12
InChIInChI=1S/C28H23N/c29-28-17-16-26(22-8-3-4-9-27(22)28)21-11-5-10-20-24-13-12-18-6-1-2-7-19(18)23(24)14-15-25(20)21/h1-4,6-9,12-17,21H,5,10-11,29H2
InChIKeyVQXXZAQHMBDDIX-UHFFFAOYSA-N
XLogP7.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine?
The IUPAC name of 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine (CID 174447083) is 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine?
The canonical SMILES for 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine is Nc1ccc(C2CCCc3c2ccc2c3ccc3ccccc32)c2ccccc12.
What is the InChIKey of 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine?
The InChIKey is VQXXZAQHMBDDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c29-28-17-16-26(22-8-3-4-9-27(22)28)21-11-5-10-20-24-13-12-18-6-1-2-7-19(18)23(24)14-15-25(20)21/h1-4,6-9,12-17,21H,5,10-11,29H2.
What are the key properties of 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine?
4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine has a molecular weight of 373.50 g/mol, XLogP of 7.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine is sourced from PubChem (CID 174447083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).