4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine

C25H22N2 — CID 144936396

IUPAC4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine
SMILESCC1(C)c2ccccc2N(c2ccc(N)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H22N2/c1-25(2)19-11-5-7-13-23(19)27(24-14-8-6-12-20(24)25)22-16-15-21(26)17-9-3-4-10-18(17)22/h3-16H,26H2,1-2H3
InChIKeyFBGMMUAAUIRWRE-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.53
Rot. Bonds1

About 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine

4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine (PubChem CID 144936396) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine.

Molecular Properties

Compound Name4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine
PubChem CID144936396
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine
SMILESCC1(C)c2ccccc2N(c2ccc(N)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H22N2/c1-25(2)19-11-5-7-13-23(19)27(24-14-8-6-12-20(24)25)22-16-15-21(26)17-9-3-4-10-18(17)22/h3-16H,26H2,1-2H3
InChIKeyFBGMMUAAUIRWRE-UHFFFAOYSA-N
XLogP6.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine
CID 58489773
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
10,10,14,14-tetramethyl-21-[5-(10,10,14,14-tetramethyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-yl)naphthalen-1-yl]-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459631
10-[8-(9,9-dimethylacridin-10-yl)quinoxalin-5-yl]-9,9-dimethylacridine
CID 121327146
10-[20-(9,9-dimethylacridin-10-yl)-12,12-dimethyl-12-silapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-9,9-dimethylacridine
CID 145010399
10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine
CID 70936023
14-[5-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459758
4-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]naphthalen-1-amine;naphthalene-1,2-diimine
CID 144936335
10-[5-(9,9-dimethylacridin-10-yl)thiophen-2-yl]-9,9-dimethylacridine
CID 59399701
9,9,10-trimethylacridine
CID 610451
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine?
The IUPAC name of 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine (CID 144936396) is 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine.
What is the SMILES notation for 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine?
The canonical SMILES for 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine is CC1(C)c2ccccc2N(c2ccc(N)c3ccccc23)c2ccccc21.
What is the InChIKey of 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine?
The InChIKey is FBGMMUAAUIRWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-25(2)19-11-5-7-13-23(19)27(24-14-8-6-12-20(24)25)22-16-15-21(26)17-9-3-4-10-18(17)22/h3-16H,26H2,1-2H3.
What are the key properties of 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine?
4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine has a molecular weight of 350.47 g/mol, XLogP of 6.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine is sourced from PubChem (CID 144936396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).