N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine

C31H31N3 — CID 145413543

IUPACN-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine
SMILESCN(N1c2ccccc2C(C)(C)c2ccccc21)N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C31H31N3/c1-30(2)22-14-6-10-18-26(22)33(27-19-11-7-15-23(27)30)32(5)34-28-20-12-8-16-24(28)31(3,4)25-17-9-13-21-29(25)34/h6-21H,1-5H3
InChIKeyUDGAKEAHSMTJBV-UHFFFAOYSA-N
MW445.61 g/mol
LogP7.70
Rot. Bonds2

About N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine

N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine (PubChem CID 145413543) has the molecular formula C31H31N3 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine.

Molecular Properties

Compound NameN-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine
PubChem CID145413543
Molecular FormulaC31H31N3
Molecular Weight445.61 g/mol
Exact Mass445.25
IUPAC NameN-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine
SMILESCN(N1c2ccccc2C(C)(C)c2ccccc21)N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C31H31N3/c1-30(2)22-14-6-10-18-26(22)33(27-19-11-7-15-23(27)30)32(5)34-28-20-12-8-16-24(28)31(3,4)25-17-9-13-21-29(25)34/h6-21H,1-5H3
InChIKeyUDGAKEAHSMTJBV-UHFFFAOYSA-N
XLogP7.70
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9,10-trimethylacridine
CID 610451
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
10-[5-(9,9-dimethylacridin-10-yl)thiophen-2-yl]-9,9-dimethylacridine
CID 59399701
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine
CID 168759465
10-[8-(9,9-dimethylacridin-10-yl)quinoxalin-5-yl]-9,9-dimethylacridine
CID 121327146
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
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
(Z)-1-(9,9-dimethylacridin-10-yl)but-2-en-1-imine
CID 153452527
10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine
CID 59399557
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine?
The IUPAC name of N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine (CID 145413543) is N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine.
What is the SMILES notation for N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine?
The canonical SMILES for N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine is CN(N1c2ccccc2C(C)(C)c2ccccc21)N1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine?
The InChIKey is UDGAKEAHSMTJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3/c1-30(2)22-14-6-10-18-26(22)33(27-19-11-7-15-23(27)30)32(5)34-28-20-12-8-16-24(28)31(3,4)25-17-9-13-21-29(25)34/h6-21H,1-5H3.
What are the key properties of N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine?
N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine has a molecular weight of 445.61 g/mol, XLogP of 7.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine is sourced from PubChem (CID 145413543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).