2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine

C48H40N2O2S — CID 134579034

IUPAC2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)ccc2N3c2ccccc2)c2ccccc21
InChIInChI=1S/C48H40N2O2S/c1-47(2)39-19-11-13-21-43(39)50(44-22-14-12-20-40(44)47)36-26-30-46-42(32-36)48(3,4)41-31-34(25-29-45(41)49(46)35-15-7-5-8-16-35)33-23-27-38(28-24-33)53(51,52)37-17-9-6-10-18-37/h5-32H,1-4H3
InChIKeyGUTOJOFUOKDUHX-UHFFFAOYSA-N
MW708.93 g/mol
LogP12.40
Rot. Bonds5

About 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine

2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine (PubChem CID 134579034) has the molecular formula C48H40N2O2S and a molecular weight of 708.93 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine
PubChem CID134579034
Molecular FormulaC48H40N2O2S
Molecular Weight708.93 g/mol
Exact Mass708.28
IUPAC Name2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)ccc2N3c2ccccc2)c2ccccc21
InChIInChI=1S/C48H40N2O2S/c1-47(2)39-19-11-13-21-43(39)50(44-22-14-12-20-40(44)47)36-26-30-46-42(32-36)48(3,4)41-31-34(25-29-45(41)49(46)35-15-7-5-8-16-35)33-23-27-38(28-24-33)53(51,52)37-17-9-6-10-18-37/h5-32H,1-4H3
InChIKeyGUTOJOFUOKDUHX-UHFFFAOYSA-N
XLogP12.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.93
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
CID 155273596
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine (CID 134579034) is 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine is CC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)ccc2N3c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine?
The InChIKey is GUTOJOFUOKDUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2O2S/c1-47(2)39-19-11-13-21-43(39)50(44-22-14-12-20-40(44)47)36-26-30-46-42(32-36)48(3,4)41-31-34(25-29-45(41)49(46)35-15-7-5-8-16-35)33-23-27-38(28-24-33)53(51,52)37-17-9-6-10-18-37/h5-32H,1-4H3.
What are the key properties of 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine?
2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine has a molecular weight of 708.93 g/mol, XLogP of 12.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 134579034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).