2,4-diphenylanthracene-1,3-diamine

C26H20N2 — CID 150185829

IUPAC2,4-diphenylanthracene-1,3-diamine
SMILESNc1c(-c2ccccc2)c(N)c2cc3ccccc3cc2c1-c1ccccc1
InChIInChI=1S/C26H20N2/c27-25-22-16-20-14-8-7-13-19(20)15-21(22)23(17-9-3-1-4-10-17)26(28)24(25)18-11-5-2-6-12-18/h1-16H,27-28H2
InChIKeyFMKHSFGWHAIUPE-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.49
Rot. Bonds2

About 2,4-diphenylanthracene-1,3-diamine

2,4-diphenylanthracene-1,3-diamine (PubChem CID 150185829) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2,4-diphenylanthracene-1,3-diamine.

Molecular Properties

Compound Name2,4-diphenylanthracene-1,3-diamine
PubChem CID150185829
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name2,4-diphenylanthracene-1,3-diamine
SMILESNc1c(-c2ccccc2)c(N)c2cc3ccccc3cc2c1-c1ccccc1
InChIInChI=1S/C26H20N2/c27-25-22-16-20-14-8-7-13-19(20)15-21(22)23(17-9-3-1-4-10-17)26(28)24(25)18-11-5-2-6-12-18/h1-16H,27-28H2
InChIKeyFMKHSFGWHAIUPE-UHFFFAOYSA-N
XLogP6.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
5,12-bis(1-phenylnaphthalen-2-yl)tetracene
CID 123352239
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
1,2,3,4-tetraphenylanthracen-9-amine
CID 87707890
5-phenoxy-12-phenyltetracene
CID 59758379
5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene
CID 58971187

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylanthracene-1,3-diamine?
The IUPAC name of 2,4-diphenylanthracene-1,3-diamine (CID 150185829) is 2,4-diphenylanthracene-1,3-diamine.
What is the SMILES notation for 2,4-diphenylanthracene-1,3-diamine?
The canonical SMILES for 2,4-diphenylanthracene-1,3-diamine is Nc1c(-c2ccccc2)c(N)c2cc3ccccc3cc2c1-c1ccccc1.
What is the InChIKey of 2,4-diphenylanthracene-1,3-diamine?
The InChIKey is FMKHSFGWHAIUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c27-25-22-16-20-14-8-7-13-19(20)15-21(22)23(17-9-3-1-4-10-17)26(28)24(25)18-11-5-2-6-12-18/h1-16H,27-28H2.
What are the key properties of 2,4-diphenylanthracene-1,3-diamine?
2,4-diphenylanthracene-1,3-diamine has a molecular weight of 360.46 g/mol, XLogP of 6.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylanthracene-1,3-diamine is sourced from PubChem (CID 150185829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).