10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C35H34BrNO2 — CID 139241883

IUPAC10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C35H34BrNO2/c1-34(2)18-27-32(29(38)20-34)31(24-12-10-23(11-13-24)22-8-6-5-7-9-22)33-28(19-35(3,4)21-30(33)39)37(27)26-16-14-25(36)15-17-26/h5-17,31H,18-21H2,1-4H3
InChIKeyCGOBSVUNTZSITE-UHFFFAOYSA-N
MW580.57 g/mol
LogP9.01
Rot. Bonds3

About 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 139241883) has the molecular formula C35H34BrNO2 and a molecular weight of 580.57 g/mol. Its IUPAC name is 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID139241883
Molecular FormulaC35H34BrNO2
Molecular Weight580.57 g/mol
Exact Mass579.18
IUPAC Name10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C35H34BrNO2/c1-34(2)18-27-32(29(38)20-34)31(24-12-10-23(11-13-24)22-8-6-5-7-9-22)33-28(19-35(3,4)21-30(33)39)37(27)26-16-14-25(36)15-17-26/h5-17,31H,18-21H2,1-4H3
InChIKeyCGOBSVUNTZSITE-UHFFFAOYSA-N
XLogP9.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.57
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 71568594
9,9'-(1,4-Phenylene)bis(10-(4-bromophenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydroacridine-1,8(2h,5h,9h,10h)-dione)
CID 76312152
3,3,6,6-tetramethyl-9,10-diphenyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 1886552
9-(4-Flurophenyl)-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydroacridine-1,8(2h,5h)-dione
CID 134692319
2-Amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxoquinoline-3-carboxamide
CID 146036506
4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 137796863
10-(4-Fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
CID 15996025
10-(4-Fluorophenyl)-9-(4-methylphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
CID 15998024
9-(4-Bromophenyl)-10-(3-fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
CID 22333817
9-(3-bromo-4-fluorophenyl)-10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 46503253
10-(4-Bromophenyl)-2-(4-fluorophenyl)-8,8-dimethyl-5-(4-methylphenyl)-1,2,3,5,7,9-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 56837256
3-[(4-Bromophenyl)amino]-5-phenyl-2-cyclohexen-1-one
CID 2866613

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 139241883) is 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is CGOBSVUNTZSITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34BrNO2/c1-34(2)18-27-32(29(38)20-34)31(24-12-10-23(11-13-24)22-8-6-5-7-9-22)33-28(19-35(3,4)21-30(33)39)37(27)26-16-14-25(36)15-17-26/h5-17,31H,18-21H2,1-4H3.
What are the key properties of 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 580.57 g/mol, XLogP of 9.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 139241883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).