2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine

C45H34N2O2S — CID 155273596

IUPAC2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(c4ccc(S(=O)(=O)c5ccccc5)cc4)c4ccccc4-c4cnccc43)cc21
InChIInChI=1S/C45H34N2O2S/c1-44(2)40-19-11-12-20-42(40)47(33-13-5-3-6-14-33)43-26-23-32(29-41(43)44)45(38-18-10-9-17-36(38)37-30-46-28-27-39(37)45)31-21-24-35(25-22-31)50(48,49)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyYDOFEMUWJHUBRS-UHFFFAOYSA-N
MW666.85 g/mol
LogP10.39
Rot. Bonds5

About 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine

2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine (PubChem CID 155273596) has the molecular formula C45H34N2O2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
PubChem CID155273596
Molecular FormulaC45H34N2O2S
Molecular Weight666.85 g/mol
Exact Mass666.23
IUPAC Name2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(c4ccc(S(=O)(=O)c5ccccc5)cc4)c4ccccc4-c4cnccc43)cc21
InChIInChI=1S/C45H34N2O2S/c1-44(2)40-19-11-12-20-42(40)47(33-13-5-3-6-14-33)43-26-23-32(29-41(43)44)45(38-18-10-9-17-36(38)37-30-46-28-27-39(37)45)31-21-24-35(25-22-31)50(48,49)34-15-7-4-8-16-34/h3-30H,1-2H3
InChIKeyYDOFEMUWJHUBRS-UHFFFAOYSA-N
XLogP10.39
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dimethyl-10-phenyl-2-[9-(4-pyridin-3-ylsulfonylphenyl)fluoren-9-yl]acridine;bis(9-(4-diphenylphosphorylphenyl)-9-(9-phenylcarbazol-3-yl)indeno[2,1-b]pyridine);5-(4-diphenylphosphorylphenyl)-5-(9-phenylcarbazol-3-yl)indeno[1,2-c]pyridine
CID 157468950
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine
CID 134579034
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403
9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
CID 122401705
10-phenylspiro[acridine-9,5'-pyrido[4,3-g]isoquinoline]-10'-one
CID 159430495
N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
CID 167214648
21,21-dimethyl-14-phenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249599
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
10-[5-(benzenesulfonyl)-2-pyridinyl]-9,9-dimethylacridine
CID 134237292

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine (CID 155273596) is 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(c4ccc(S(=O)(=O)c5ccccc5)cc4)c4ccccc4-c4cnccc43)cc21.
What is the InChIKey of 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine?
The InChIKey is YDOFEMUWJHUBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2O2S/c1-44(2)40-19-11-12-20-42(40)47(33-13-5-3-6-14-33)43-26-23-32(29-41(43)44)45(38-18-10-9-17-36(38)37-30-46-28-27-39(37)45)31-21-24-35(25-22-31)50(48,49)34-15-7-4-8-16-34/h3-30H,1-2H3.
What are the key properties of 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine?
2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine has a molecular weight of 666.85 g/mol, XLogP of 10.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 155273596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).