10-iodo-9,9-dimethyl-3-phenylacridine

C21H18IN — CID 146540526

IUPAC10-iodo-9,9-dimethyl-3-phenylacridine
SMILESCC1(C)c2ccccc2N(I)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C21H18IN/c1-21(2)17-10-6-7-11-19(17)23(22)20-14-16(12-13-18(20)21)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeyKGPZWEUFDLBRMJ-UHFFFAOYSA-N
MW411.29 g/mol
LogP6.48
Rot. Bonds1

About 10-iodo-9,9-dimethyl-3-phenylacridine

10-iodo-9,9-dimethyl-3-phenylacridine (PubChem CID 146540526) has the molecular formula C21H18IN and a molecular weight of 411.29 g/mol. Its IUPAC name is 10-iodo-9,9-dimethyl-3-phenylacridine.

Molecular Properties

Compound Name10-iodo-9,9-dimethyl-3-phenylacridine
PubChem CID146540526
Molecular FormulaC21H18IN
Molecular Weight411.29 g/mol
Exact Mass411.05
IUPAC Name10-iodo-9,9-dimethyl-3-phenylacridine
SMILESCC1(C)c2ccccc2N(I)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C21H18IN/c1-21(2)17-10-6-7-11-19(17)23(22)20-14-16(12-13-18(20)21)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeyKGPZWEUFDLBRMJ-UHFFFAOYSA-N
XLogP6.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 10-iodo-9,9-dimethyl-3-phenylacridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
18-[3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)-5-phenylphenyl]phenyl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 67951184
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
10-(9,9-dimethyl-3,6-diphenylacridin-10-yl)-5-methylbenzo[b][1,4]benzazaborinine
CID 168759584
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 140926242
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
10-tert-butyl-9,9-dimethyl-2,6-diphenylacridine;10-tert-butyl-9,9-dimethyl-2,7-diphenylacridine;10-tert-butyl-9,9-dimethyl-3,6-diphenylacridine;10-tert-butyl-9,9-dimethyl-2-phenylacridine;10-tert-butyl-9,9-dimethyl-3-phenylacridine;10-tert-butyl-9,9-dimethyl-4-phenylacridine
CID 157358254
4-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N,N-diphenylaniline
CID 170656809

Frequently Asked Questions

What is the IUPAC name of 10-iodo-9,9-dimethyl-3-phenylacridine?
The IUPAC name of 10-iodo-9,9-dimethyl-3-phenylacridine (CID 146540526) is 10-iodo-9,9-dimethyl-3-phenylacridine.
What is the SMILES notation for 10-iodo-9,9-dimethyl-3-phenylacridine?
The canonical SMILES for 10-iodo-9,9-dimethyl-3-phenylacridine is CC1(C)c2ccccc2N(I)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 10-iodo-9,9-dimethyl-3-phenylacridine?
The InChIKey is KGPZWEUFDLBRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18IN/c1-21(2)17-10-6-7-11-19(17)23(22)20-14-16(12-13-18(20)21)15-8-4-3-5-9-15/h3-14H,1-2H3.
What are the key properties of 10-iodo-9,9-dimethyl-3-phenylacridine?
10-iodo-9,9-dimethyl-3-phenylacridine has a molecular weight of 411.29 g/mol, XLogP of 6.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodo-9,9-dimethyl-3-phenylacridine is sourced from PubChem (CID 146540526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).