2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine

C44H40N2O2S — CID 132504403

IUPAC2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
SMILESCc1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccc(S(=O)(=O)c2ccc(N3c4ccccc4C(C)(C)c4cc(C)ccc43)cc2)cc1
InChIInChI=1S/C44H40N2O2S/c1-29-15-25-41-37(27-29)43(3,4)35-11-7-9-13-39(35)45(41)31-17-21-33(22-18-31)49(47,48)34-23-19-32(20-24-34)46-40-14-10-8-12-36(40)44(5,6)38-28-30(2)16-26-42(38)46/h7-28H,1-6H3
InChIKeyHIMNKOBYTUTRHC-UHFFFAOYSA-N
MW660.88 g/mol
LogP11.35
Rot. Bonds4

About 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine

2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine (PubChem CID 132504403) has the molecular formula C44H40N2O2S and a molecular weight of 660.88 g/mol. Its IUPAC name is 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine.

Molecular Properties

Compound Name2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
PubChem CID132504403
Molecular FormulaC44H40N2O2S
Molecular Weight660.88 g/mol
Exact Mass660.28
IUPAC Name2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
SMILESCc1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccc(S(=O)(=O)c2ccc(N3c4ccccc4C(C)(C)c4cc(C)ccc43)cc2)cc1
InChIInChI=1S/C44H40N2O2S/c1-29-15-25-41-37(27-29)43(3,4)35-11-7-9-13-39(35)45(41)31-17-21-33(22-18-31)49(47,48)34-23-19-32(20-24-34)46-40-14-10-8-12-36(40)44(5,6)38-28-30(2)16-26-42(38)46/h7-28H,1-6H3
InChIKeyHIMNKOBYTUTRHC-UHFFFAOYSA-N
XLogP11.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.88
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine
CID 134579034
9,9-dimethyl-10-(4-pyridin-2-ylsulfonylphenyl)acridine
CID 134237294
2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
CID 155273596
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine
CID 134237292
2,7,9,9-tetramethyl-10-(9-methylcarbazol-3-yl)acridine
CID 158231626
3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione
CID 118655432
10-[9,9-dimethyl-10-(2-methyl-4-pyridin-2-ylsulfonylphenyl)acridin-2-yl]phenoxazine
CID 134237340
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596

Frequently Asked Questions

What is the IUPAC name of 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine?
The IUPAC name of 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine (CID 132504403) is 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine.
What is the SMILES notation for 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine?
The canonical SMILES for 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine is Cc1ccc2c(c1)C(C)(C)c1ccccc1N2c1ccc(S(=O)(=O)c2ccc(N3c4ccccc4C(C)(C)c4cc(C)ccc43)cc2)cc1.
What is the InChIKey of 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine?
The InChIKey is HIMNKOBYTUTRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N2O2S/c1-29-15-25-41-37(27-29)43(3,4)35-11-7-9-13-39(35)45(41)31-17-21-33(22-18-31)49(47,48)34-23-19-32(20-24-34)46-40-14-10-8-12-36(40)44(5,6)38-28-30(2)16-26-42(38)46/h7-28H,1-6H3.
What are the key properties of 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine?
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine has a molecular weight of 660.88 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine is sourced from PubChem (CID 132504403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).