8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole

C32H18N4 — CID 10917492

IUPAC8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole
SMILESc1cc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)cc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)c1
InChIInChI=1S/C32H18N4/c1-10-19(31-33-27-21-12-2-6-17-7-3-13-22(25(17)21)28(27)34-31)16-20(11-1)32-35-29-23-14-4-8-18-9-5-15-24(26(18)23)30(29)36-32/h1-16H,(H,33,34)(H,35,36)
InChIKeyBOUCKNBJBLMDFR-UHFFFAOYSA-N
MW458.52 g/mol
LogP8.07
Rot. Bonds2

About 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole

8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole (PubChem CID 10917492) has the molecular formula C32H18N4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole.

Molecular Properties

Compound Name8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole
PubChem CID10917492
Molecular FormulaC32H18N4
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole
SMILESc1cc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)cc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)c1
InChIInChI=1S/C32H18N4/c1-10-19(31-33-27-21-12-2-6-17-7-3-13-22(25(17)21)28(27)34-31)16-20(11-1)32-35-29-23-14-4-8-18-9-5-15-24(26(18)23)30(29)36-32/h1-16H,(H,33,34)(H,35,36)
InChIKeyBOUCKNBJBLMDFR-UHFFFAOYSA-N
XLogP8.07
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole
CID 788015
2-(3-methylphenyl)-1H-benzo[f]benzimidazole-4,9-dione
CID 122368189
3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
2-(8-methylnaphthalen-2-yl)-4,5-diphenyl-1H-imidazole
CID 139797871
4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate
CID 7030216
2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
CID 146679981
2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole
CID 110194681
6-chloro-2-(3-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)-1H-benzimidazole-4,7-dione
CID 165129330
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
3,6,8-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),10,12,14,16(20),17-octaene-5,7-dione
CID 59366066

Frequently Asked Questions

What is the IUPAC name of 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole?
The IUPAC name of 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole (CID 10917492) is 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole.
What is the SMILES notation for 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole?
The canonical SMILES for 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole is c1cc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)cc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)c1.
What is the InChIKey of 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole?
The InChIKey is BOUCKNBJBLMDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4/c1-10-19(31-33-27-21-12-2-6-17-7-3-13-22(25(17)21)28(27)34-31)16-20(11-1)32-35-29-23-14-4-8-18-9-5-15-24(26(18)23)30(29)36-32/h1-16H,(H,33,34)(H,35,36).
What are the key properties of 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole?
8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole has a molecular weight of 458.52 g/mol, XLogP of 8.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole is sourced from PubChem (CID 10917492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).