[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone

C58H41NO — CID 130181416

IUPAC[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc(-c4cccc(C(=O)c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c4)c3)cc21
InChIInChI=1S/C58H41NO/c1-58(2)53-28-12-13-29-55(53)59(44-20-4-3-5-21-44)56-33-31-41(37-54(56)58)39-17-14-16-38(34-39)40-18-15-19-42(35-40)57(60)43-30-32-51-49-26-9-8-24-47(49)45-22-6-7-23-46(45)48-25-10-11-27-50(48)52(51)36-43/h3-37H,1-2H3/b47-45-,48-46-,51-49-,52-50-
InChIKeyFGFWMYKECHLASY-SWYMBEDSSA-N
MW767.97 g/mol
LogP15.34
Rot. Bonds5

About [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone

[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone (PubChem CID 130181416) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone.

Molecular Properties

Compound Name[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone
PubChem CID130181416
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC Name[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc(-c4cccc(C(=O)c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c4)c3)cc21
InChIInChI=1S/C58H41NO/c1-58(2)53-28-12-13-29-55(53)59(44-20-4-3-5-21-44)56-33-31-41(37-54(56)58)39-17-14-16-38(34-39)40-18-15-19-42(35-40)57(60)43-30-32-51-49-26-9-8-24-47(49)45-22-6-7-23-46(45)48-25-10-11-27-50(48)52(51)36-43/h3-37H,1-2H3/b47-45-,48-46-,51-49-,52-50-
InChIKeyFGFWMYKECHLASY-SWYMBEDSSA-N
XLogP15.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
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
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene
CID 142555556
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517

Frequently Asked Questions

What is the IUPAC name of [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone?
The IUPAC name of [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone (CID 130181416) is [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone.
What is the SMILES notation for [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone?
The canonical SMILES for [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc(-c4cccc(C(=O)c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c4)c3)cc21.
What is the InChIKey of [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone?
The InChIKey is FGFWMYKECHLASY-SWYMBEDSSA-N. The full InChI is InChI=1S/C58H41NO/c1-58(2)53-28-12-13-29-55(53)59(44-20-4-3-5-21-44)56-33-31-41(37-54(56)58)39-17-14-16-38(34-39)40-18-15-19-42(35-40)57(60)43-30-32-51-49-26-9-8-24-47(49)45-22-6-7-23-46(45)48-25-10-11-27-50(48)52(51)36-43/h3-37H,1-2H3/b47-45-,48-46-,51-49-,52-50-.
What are the key properties of [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone?
[3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone has a molecular weight of 767.97 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]-tetraphenylen-2-ylmethanone is sourced from PubChem (CID 130181416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).