10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one

C41H31NO — CID 140898964

IUPAC10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(c4ccccc4)c4ccccc4C(=O)c4ccccc43)cc21
InChIInChI=1S/C41H31NO/c1-40(2)35-23-13-14-24-37(35)42(30-17-7-4-8-18-30)38-26-25-29(27-36(38)40)41(28-15-5-3-6-16-28)33-21-11-9-19-31(33)39(43)32-20-10-12-22-34(32)41/h3-27H,1-2H3
InChIKeyWMLXMBYGVUDMCM-UHFFFAOYSA-N
MW553.71 g/mol
LogP9.72
Rot. Bonds3

About 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one

10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one (PubChem CID 140898964) has the molecular formula C41H31NO and a molecular weight of 553.71 g/mol. Its IUPAC name is 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one.

Molecular Properties

Compound Name10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
PubChem CID140898964
Molecular FormulaC41H31NO
Molecular Weight553.71 g/mol
Exact Mass553.24
IUPAC Name10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(c4ccccc4)c4ccccc4C(=O)c4ccccc43)cc21
InChIInChI=1S/C41H31NO/c1-40(2)35-23-13-14-24-37(35)42(30-17-7-4-8-18-30)38-26-25-29(27-36(38)40)41(28-15-5-3-6-16-28)33-21-11-9-19-31(33)39(43)32-20-10-12-22-34(32)41/h3-27H,1-2H3
InChIKeyWMLXMBYGVUDMCM-UHFFFAOYSA-N
XLogP9.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
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
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053
2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
CID 155273596
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-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
CID 164838773
5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one
CID 157373920
9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine
CID 162115764
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
9,9-dimethyl-N-naphthalen-2-yl-10-phenyl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)acridin-2-amine
CID 167214913
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide
CID 140898984

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one?
The IUPAC name of 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one (CID 140898964) is 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one.
What is the SMILES notation for 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one?
The canonical SMILES for 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(c4ccccc4)c4ccccc4C(=O)c4ccccc43)cc21.
What is the InChIKey of 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one?
The InChIKey is WMLXMBYGVUDMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31NO/c1-40(2)35-23-13-14-24-37(35)42(30-17-7-4-8-18-30)38-26-25-29(27-36(38)40)41(28-15-5-3-6-16-28)33-21-11-9-19-31(33)39(43)32-20-10-12-22-34(32)41/h3-27H,1-2H3.
What are the key properties of 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one?
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one has a molecular weight of 553.71 g/mol, XLogP of 9.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one is sourced from PubChem (CID 140898964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).