2-(4-butylphenyl)-1H-phenalene-1,4-diamine

C23H24N2 — CID 175358026

IUPAC2-(4-butylphenyl)-1H-phenalene-1,4-diamine
SMILESCCCCc1ccc(C2=Cc3c(N)ccc4cccc(c34)C2N)cc1
InChIInChI=1S/C23H24N2/c1-2-3-5-15-8-10-16(11-9-15)19-14-20-21(24)13-12-17-6-4-7-18(22(17)20)23(19)25/h4,6-14,23H,2-3,5,24-25H2,1H3
InChIKeyFACHDMLXSKYVCW-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.32
Rot. Bonds4

About 2-(4-butylphenyl)-1H-phenalene-1,4-diamine

2-(4-butylphenyl)-1H-phenalene-1,4-diamine (PubChem CID 175358026) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(4-butylphenyl)-1H-phenalene-1,4-diamine.

Molecular Properties

Compound Name2-(4-butylphenyl)-1H-phenalene-1,4-diamine
PubChem CID175358026
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name2-(4-butylphenyl)-1H-phenalene-1,4-diamine
SMILESCCCCc1ccc(C2=Cc3c(N)ccc4cccc(c34)C2N)cc1
InChIInChI=1S/C23H24N2/c1-2-3-5-15-8-10-16(11-9-15)19-14-20-21(24)13-12-17-6-4-7-18(22(17)20)23(19)25/h4,6-14,23H,2-3,5,24-25H2,1H3
InChIKeyFACHDMLXSKYVCW-UHFFFAOYSA-N
XLogP5.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-butylphenyl)-1H-phenalene-1,4-diamine 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

1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
2-(4-butylphenyl)benzene-1,4-diamine;dihydrochloride
CID 18371792
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
1-butyl-4-phenylbenzene;ethane
CID 143743409
2-(2,3-dimethylphenyl)-1H-phenalen-1-amine
CID 175022642
9-hexylpyren-1-amine
CID 87887470
1-N-octan-2-yl-1-N-phenyl-1H-phenalene-1,4-diamine
CID 174867895
1,2,3,4-tetrakis(4-hexylphenyl)pyrene
CID 165177042
6,18-bis(4-butylphenyl)-12,24-dithiahexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(13),2(11),3(8),4,6,9,14(23),15(20),16,18,21-undecaene
CID 122229155
7,10-bis(4-bromophenyl)-8,9-bis(4-octylphenyl)fluoranthene
CID 23657871
1-[10-[7-[3-(4-butylphenyl)phenyl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 166990982

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-1H-phenalene-1,4-diamine?
The IUPAC name of 2-(4-butylphenyl)-1H-phenalene-1,4-diamine (CID 175358026) is 2-(4-butylphenyl)-1H-phenalene-1,4-diamine.
What is the SMILES notation for 2-(4-butylphenyl)-1H-phenalene-1,4-diamine?
The canonical SMILES for 2-(4-butylphenyl)-1H-phenalene-1,4-diamine is CCCCc1ccc(C2=Cc3c(N)ccc4cccc(c34)C2N)cc1.
What is the InChIKey of 2-(4-butylphenyl)-1H-phenalene-1,4-diamine?
The InChIKey is FACHDMLXSKYVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-2-3-5-15-8-10-16(11-9-15)19-14-20-21(24)13-12-17-6-4-7-18(22(17)20)23(19)25/h4,6-14,23H,2-3,5,24-25H2,1H3.
What are the key properties of 2-(4-butylphenyl)-1H-phenalene-1,4-diamine?
2-(4-butylphenyl)-1H-phenalene-1,4-diamine has a molecular weight of 328.46 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-1H-phenalene-1,4-diamine is sourced from PubChem (CID 175358026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).