2,7-dibromo-9,9-dibutyl-10-hexylacridine

C27H37Br2N — CID 68763521

IUPAC2,7-dibromo-9,9-dibutyl-10-hexylacridine
SMILESCCCCCCN1c2ccc(Br)cc2C(CCCC)(CCCC)c2cc(Br)ccc21
InChIInChI=1S/C27H37Br2N/c1-4-7-10-11-18-30-25-14-12-21(28)19-23(25)27(16-8-5-2,17-9-6-3)24-20-22(29)13-15-26(24)30/h12-15,19-20H,4-11,16-18H2,1-3H3
InChIKeyQYNLAZSJPNBCKB-UHFFFAOYSA-N
MW535.41 g/mol
LogP9.91
Rot. Bonds11

About 2,7-dibromo-9,9-dibutyl-10-hexylacridine

2,7-dibromo-9,9-dibutyl-10-hexylacridine (PubChem CID 68763521) has the molecular formula C27H37Br2N and a molecular weight of 535.41 g/mol. Its IUPAC name is 2,7-dibromo-9,9-dibutyl-10-hexylacridine.

Molecular Properties

Compound Name2,7-dibromo-9,9-dibutyl-10-hexylacridine
PubChem CID68763521
Molecular FormulaC27H37Br2N
Molecular Weight535.41 g/mol
Exact Mass533.13
IUPAC Name2,7-dibromo-9,9-dibutyl-10-hexylacridine
SMILESCCCCCCN1c2ccc(Br)cc2C(CCCC)(CCCC)c2cc(Br)ccc21
InChIInChI=1S/C27H37Br2N/c1-4-7-10-11-18-30-25-14-12-21(28)19-23(25)27(16-8-5-2,17-9-6-3)24-20-22(29)13-15-26(24)30/h12-15,19-20H,4-11,16-18H2,1-3H3
InChIKeyQYNLAZSJPNBCKB-UHFFFAOYSA-N
XLogP9.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.41
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
3,7-dibromo-10-hexylphenoxazine
CID 86076992
5'-bromo-1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889670
CID 59561089
CID 59561089
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2-bromo-9,9-dihexylfluorene
CID 18674600
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
3-bromo-9,9-dioctylfluorene
CID 139567905
6,15,24-tribromo-9,18,27-triethyl-9,18,27-trioctylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 148782423
5'-bromo-1'-butylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177575

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-dibutyl-10-hexylacridine?
The IUPAC name of 2,7-dibromo-9,9-dibutyl-10-hexylacridine (CID 68763521) is 2,7-dibromo-9,9-dibutyl-10-hexylacridine.
What is the SMILES notation for 2,7-dibromo-9,9-dibutyl-10-hexylacridine?
The canonical SMILES for 2,7-dibromo-9,9-dibutyl-10-hexylacridine is CCCCCCN1c2ccc(Br)cc2C(CCCC)(CCCC)c2cc(Br)ccc21.
What is the InChIKey of 2,7-dibromo-9,9-dibutyl-10-hexylacridine?
The InChIKey is QYNLAZSJPNBCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37Br2N/c1-4-7-10-11-18-30-25-14-12-21(28)19-23(25)27(16-8-5-2,17-9-6-3)24-20-22(29)13-15-26(24)30/h12-15,19-20H,4-11,16-18H2,1-3H3.
What are the key properties of 2,7-dibromo-9,9-dibutyl-10-hexylacridine?
2,7-dibromo-9,9-dibutyl-10-hexylacridine has a molecular weight of 535.41 g/mol, XLogP of 9.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-dibutyl-10-hexylacridine is sourced from PubChem (CID 68763521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).