2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine

C28H24BrN — CID 71004078

IUPAC2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine
SMILESCCC1(C)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(Br)cc21
InChIInChI=1S/C28H24BrN/c1-3-28(2)24-11-7-8-12-26(24)30(27-18-15-22(29)19-25(27)28)23-16-13-21(14-17-23)20-9-5-4-6-10-20/h4-19H,3H2,1-2H3
InChIKeySBLXGBCKGGVMDU-UHFFFAOYSA-N
MW454.41 g/mol
LogP8.62
Rot. Bonds3

About 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine

2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine (PubChem CID 71004078) has the molecular formula C28H24BrN and a molecular weight of 454.41 g/mol. Its IUPAC name is 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine.

Molecular Properties

Compound Name2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine
PubChem CID71004078
Molecular FormulaC28H24BrN
Molecular Weight454.41 g/mol
Exact Mass453.11
IUPAC Name2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine
SMILESCCC1(C)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(Br)cc21
InChIInChI=1S/C28H24BrN/c1-3-28(2)24-11-7-8-12-26(24)30(27-18-15-22(29)19-25(27)28)23-16-13-21(14-17-23)20-9-5-4-6-10-20/h4-19H,3H2,1-2H3
InChIKeySBLXGBCKGGVMDU-UHFFFAOYSA-N
XLogP8.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
9-ethyl-9-phenyl-10-(4-phenylphenyl)acridine
CID 71004140
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine
CID 171571853
2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]
CID 123148117
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
5',14'-dibromo-10-phenylspiro[acridine-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
CID 126551793
2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene
CID 162173008
6,6,7,7,8,8,16,16,17,17,18,18-dodecamethyl-2,12-bis(4-phenylphenyl)-2,12-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene
CID 146581550
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine
CID 171063686
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine?
The IUPAC name of 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine (CID 71004078) is 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine.
What is the SMILES notation for 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine?
The canonical SMILES for 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine is CCC1(C)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine?
The InChIKey is SBLXGBCKGGVMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrN/c1-3-28(2)24-11-7-8-12-26(24)30(27-18-15-22(29)19-25(27)28)23-16-13-21(14-17-23)20-9-5-4-6-10-20/h4-19H,3H2,1-2H3.
What are the key properties of 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine?
2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine has a molecular weight of 454.41 g/mol, XLogP of 8.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine is sourced from PubChem (CID 71004078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).