2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine

C26H23N — CID 143462493

IUPAC2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine
SMILESCC1=C(C)C2=C(C1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C2
InChIInChI=1S/C26H23N/c1-18-15-26-24-14-13-23(16-20(24)17-25(26)19(18)2)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16H,15,17H2,1-2H3
InChIKeyZHXZNXSUQKHOEL-UHFFFAOYSA-N
MW349.48 g/mol
LogP7.21
Rot. Bonds3

About 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine

2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine (PubChem CID 143462493) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine.

Molecular Properties

Compound Name2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine
PubChem CID143462493
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine
SMILESCC1=C(C)C2=C(C1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C2
InChIInChI=1S/C26H23N/c1-18-15-26-24-14-13-23(16-20(24)17-25(26)19(18)2)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16H,15,17H2,1-2H3
InChIKeyZHXZNXSUQKHOEL-UHFFFAOYSA-N
XLogP7.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-phenylbicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 121412737
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one
CID 156790154
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
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157107572
3-N-(4-methylphenyl)-1-N-[3-(N-(4-methylphenyl)anilino)-4-phenylphenyl]-1-N,3-N,4-triphenylbenzene-1,3-diamine
CID 139762641
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
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine?
The IUPAC name of 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine (CID 143462493) is 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine.
What is the SMILES notation for 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine?
The canonical SMILES for 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine is CC1=C(C)C2=C(C1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C2.
What is the InChIKey of 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine?
The InChIKey is ZHXZNXSUQKHOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-18-15-26-24-14-13-23(16-20(24)17-25(26)19(18)2)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16H,15,17H2,1-2H3.
What are the key properties of 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine?
2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine has a molecular weight of 349.48 g/mol, XLogP of 7.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine is sourced from PubChem (CID 143462493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).