2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine

C47H39N3 — CID 59399596

IUPAC2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)n3)cc21
InChIInChI=1S/C47H39N3/c1-46(2)36-20-11-13-24-42(36)49(34-16-7-5-8-17-34)44-28-26-32(30-38(44)46)40-22-15-23-41(48-40)33-27-29-45-39(31-33)47(3,4)37-21-12-14-25-43(37)50(45)35-18-9-6-10-19-35/h5-31H,1-4H3
InChIKeyOTBBPMVLTJGWAM-UHFFFAOYSA-N
MW645.85 g/mol
LogP12.63
Rot. Bonds4

About 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine

2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine (PubChem CID 59399596) has the molecular formula C47H39N3 and a molecular weight of 645.85 g/mol. Its IUPAC name is 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
PubChem CID59399596
Molecular FormulaC47H39N3
Molecular Weight645.85 g/mol
Exact Mass645.31
IUPAC Name2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)n3)cc21
InChIInChI=1S/C47H39N3/c1-46(2)36-20-11-13-24-42(36)49(34-16-7-5-8-17-34)44-28-26-32(30-38(44)46)40-22-15-23-41(48-40)33-27-29-45-39(31-33)47(3,4)37-21-12-14-25-43(37)50(45)35-18-9-6-10-19-35/h5-31H,1-4H3
InChIKeyOTBBPMVLTJGWAM-UHFFFAOYSA-N
XLogP12.63
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.85
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
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
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
6-[3-(9,9-dimethylacridin-10-yl)phenyl]pyridine-2-carbonitrile
CID 146543096
3,5-bis[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-1,2,4-thiadiazole
CID 146534120

Frequently Asked Questions

What is the IUPAC name of 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine (CID 59399596) is 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)n3)cc21.
What is the InChIKey of 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine?
The InChIKey is OTBBPMVLTJGWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N3/c1-46(2)36-20-11-13-24-42(36)49(34-16-7-5-8-17-34)44-28-26-32(30-38(44)46)40-22-15-23-41(48-40)33-27-29-45-39(31-33)47(3,4)37-21-12-14-25-43(37)50(45)35-18-9-6-10-19-35/h5-31H,1-4H3.
What are the key properties of 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine?
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine has a molecular weight of 645.85 g/mol, XLogP of 12.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 59399596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).