7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine

C31H33N2+ — CID 123906206

IUPAC7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine
SMILESCCC1(CC)C[n+]2ccccc2-c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc21
InChIInChI=1S/C31H33N2/c1-5-31(6-2)22-32-20-8-7-9-30(32)28-21-27(18-19-29(28)31)33(25-14-10-23(3)11-15-25)26-16-12-24(4)13-17-26/h7-21H,5-6,22H2,1-4H3/q+1
InChIKeyCJJWCWUIYYIZSY-UHFFFAOYSA-N
MW433.62 g/mol
LogP7.80
Rot. Bonds5

About 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine

7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine (PubChem CID 123906206) has the molecular formula C31H33N2+ and a molecular weight of 433.62 g/mol. Its IUPAC name is 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine.

Molecular Properties

Compound Name7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine
PubChem CID123906206
Molecular FormulaC31H33N2+
Molecular Weight433.62 g/mol
Exact Mass433.26
IUPAC Name7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine
SMILESCCC1(CC)C[n+]2ccccc2-c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc21
InChIInChI=1S/C31H33N2/c1-5-31(6-2)22-32-20-8-7-9-30(32)28-21-27(18-19-29(28)31)33(25-14-10-23(3)11-15-25)26-16-12-24(4)13-17-26/h7-21H,5-6,22H2,1-4H3/q+1
InChIKeyCJJWCWUIYYIZSY-UHFFFAOYSA-N
XLogP7.80
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
6-ethyl-6-pent-1-en-2-yl-N,N-diphenyl-7H-benzo[a]quinolizin-5-ium-10-amine
CID 123316867
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
N-(4-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 134568085
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 118424877
9,9,18,18,27,27-hexaethyl-5-N,5-N,14-N,14-N,23-N,23-N-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene-5,14,23-triamine
CID 101441557
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
N,4-dimethyl-N-propylaniline
CID 14671247
6-N,6-N,16-N,16-N-tetrakis(4-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032335

Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine?
The IUPAC name of 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine (CID 123906206) is 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine.
What is the SMILES notation for 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine?
The canonical SMILES for 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine is CCC1(CC)C[n+]2ccccc2-c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc21.
What is the InChIKey of 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine?
The InChIKey is CJJWCWUIYYIZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N2/c1-5-31(6-2)22-32-20-8-7-9-30(32)28-21-27(18-19-29(28)31)33(25-14-10-23(3)11-15-25)26-16-12-24(4)13-17-26/h7-21H,5-6,22H2,1-4H3/q+1.
What are the key properties of 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine?
7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine has a molecular weight of 433.62 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine is sourced from PubChem (CID 123906206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).