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

C33H32BrNO2 — CID 139241884

IUPAC10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-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)C2c1cccc2ccccc12
InChIInChI=1S/C33H32BrNO2/c1-32(2)16-25-30(27(36)18-32)29(24-11-7-9-20-8-5-6-10-23(20)24)31-26(17-33(3,4)19-28(31)37)35(25)22-14-12-21(34)13-15-22/h5-15,29H,16-19H2,1-4H3
InChIKeyHQVNRWZRRMBINU-UHFFFAOYSA-N
MW554.53 g/mol
LogP8.49
Rot. Bonds2

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

10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 139241884) has the molecular formula C33H32BrNO2 and a molecular weight of 554.53 g/mol. Its IUPAC name is 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID139241884
Molecular FormulaC33H32BrNO2
Molecular Weight554.53 g/mol
Exact Mass553.16
IUPAC Name10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-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)C2c1cccc2ccccc12
InChIInChI=1S/C33H32BrNO2/c1-32(2)16-25-30(27(36)18-32)29(24-11-7-9-20-8-5-6-10-23(20)24)31-26(17-33(3,4)19-28(31)37)35(25)22-14-12-21(34)13-15-22/h5-15,29H,16-19H2,1-4H3
InChIKeyHQVNRWZRRMBINU-UHFFFAOYSA-N
XLogP8.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.53
LogP ≤ 58.49
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
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
3,3,6,6-Tetramethyl-9-(4-bromophenyl)-10-phenyl-3,4,6,7-tetrahydroacridine-1,8(2h,5h,9h,10h)-dione
CID 101497921
(3S)-5-acetyl-1-(4-bromophenyl)-3,6-dimethyl-3-(4-methylphenyl)-4H-pyridin-2-one;(3R)-5-acetyl-1-(4-bromophenyl)-3,6-dimethyl-3-(4-methylphenyl)-4H-pyridin-2-one
CID 139123960
10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 139241879
10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 139241883
10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 139241885
10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 139241886
10-(4-bromophenyl)-9-[4-[10-(4-bromophenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 139241887
1-(4-Bromophenyl)-4-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 20423299

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 139241884) is 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-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-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-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)C2c1cccc2ccccc12.
What is the InChIKey of 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is HQVNRWZRRMBINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32BrNO2/c1-32(2)16-25-30(27(36)18-32)29(24-11-7-9-20-8-5-6-10-23(20)24)31-26(17-33(3,4)19-28(31)37)35(25)22-14-12-21(34)13-15-22/h5-15,29H,16-19H2,1-4H3.
What are the key properties of 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 554.53 g/mol, XLogP of 8.49, 2 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-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 139241884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).