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

C33H32ClNO2 — CID 139241879

IUPAC10-(4-chlorophenyl)-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(Cl)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc2ccccc12
InChIInChI=1S/C33H32ClNO2/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
InChIKeyJQRCBIVWCNLKHT-UHFFFAOYSA-N
MW510.08 g/mol
LogP8.38
Rot. Bonds2

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

10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 139241879) has the molecular formula C33H32ClNO2 and a molecular weight of 510.08 g/mol. Its IUPAC name is 10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID139241879
Molecular FormulaC33H32ClNO2
Molecular Weight510.08 g/mol
Exact Mass509.21
IUPAC Name10-(4-chlorophenyl)-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(Cl)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc2ccccc12
InChIInChI=1S/C33H32ClNO2/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
InChIKeyJQRCBIVWCNLKHT-UHFFFAOYSA-N
XLogP8.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.08
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 52949216
10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 49787788
10-(4-chlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 22333786
9,9'-(1,4-Phenylene)bis(10-(4-chlorophenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydroacridine-1,8(2h,5h,9h,10h)-dione)
CID 76319389
10-(4-Chlorophenyl)-9-methyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 379946
9-(4-Chlorophenyl)-10-(2-fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
CID 12121823
10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 22333796
10-(3,4-Dichlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
CID 22333802
10-(3,5-dichlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 22333808
10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 22333809
9-(3-chlorophenyl)-10-(2-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 22333819
9-(3-chlorophenyl)-10-(3-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 22333820

Frequently Asked Questions

What is the IUPAC name of 10-(4-chlorophenyl)-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-chlorophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 139241879) is 10-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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(Cl)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc2ccccc12.
What is the InChIKey of 10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is JQRCBIVWCNLKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClNO2/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-chlorophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 510.08 g/mol, XLogP of 8.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 139241879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).