3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine

C42H36N2 — CID 58489784

IUPAC3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C42H36N2/c1-41(2)33-19-11-13-21-37(33)43(31-15-7-5-8-16-31)39-27-29(23-25-35(39)41)30-24-26-36-40(28-30)44(32-17-9-6-10-18-32)38-22-14-12-20-34(38)42(36,3)4/h5-28H,1-4H3
InChIKeyVZOMBGAGBNCGEX-UHFFFAOYSA-N
MW568.76 g/mol
LogP11.57
Rot. Bonds3

About 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine

3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine (PubChem CID 58489784) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
PubChem CID58489784
Molecular FormulaC42H36N2
Molecular Weight568.76 g/mol
Exact Mass568.29
IUPAC Name3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C42H36N2/c1-41(2)33-19-11-13-21-37(33)43(31-15-7-5-8-16-31)39-27-29(23-25-35(39)41)30-24-26-36-40(28-30)44(32-17-9-6-10-18-32)38-22-14-12-20-34(38)42(36,3)4/h5-28H,1-4H3
InChIKeyVZOMBGAGBNCGEX-UHFFFAOYSA-N
XLogP11.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
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
3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole
CID 146534121
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine (CID 58489784) is 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)N(c3ccccc3)c3ccccc3C4(C)C)ccc21.
What is the InChIKey of 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine?
The InChIKey is VZOMBGAGBNCGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2/c1-41(2)33-19-11-13-21-37(33)43(31-15-7-5-8-16-31)39-27-29(23-25-35(39)41)30-24-26-36-40(28-30)44(32-17-9-6-10-18-32)38-22-14-12-20-34(38)42(36,3)4/h5-28H,1-4H3.
What are the key properties of 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine?
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine has a molecular weight of 568.76 g/mol, XLogP of 11.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 58489784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).