10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine

C40H40N2 — CID 59399664

IUPAC10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
SMILESCCCCc1cc(N2c3ccccc3C(C)(C)c3ccccc32)cc(N2c3ccccc3C(C)(C)c3ccccc32)c1
InChIInChI=1S/C40H40N2/c1-6-7-16-28-25-29(41-35-21-12-8-17-31(35)39(2,3)32-18-9-13-22-36(32)41)27-30(26-28)42-37-23-14-10-19-33(37)40(4,5)34-20-11-15-24-38(34)42/h8-15,17-27H,6-7,16H2,1-5H3
InChIKeyLGXQHGFLPXDVAU-UHFFFAOYSA-N
MW548.77 g/mol
LogP11.25
Rot. Bonds5

About 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine

10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine (PubChem CID 59399664) has the molecular formula C40H40N2 and a molecular weight of 548.77 g/mol. Its IUPAC name is 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
PubChem CID59399664
Molecular FormulaC40H40N2
Molecular Weight548.77 g/mol
Exact Mass548.32
IUPAC Name10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
SMILESCCCCc1cc(N2c3ccccc3C(C)(C)c3ccccc32)cc(N2c3ccccc3C(C)(C)c3ccccc32)c1
InChIInChI=1S/C40H40N2/c1-6-7-16-28-25-29(41-35-21-12-8-17-31(35)39(2,3)32-18-9-13-22-36(32)41)27-30(26-28)42-37-23-14-10-19-33(37)40(4,5)34-20-11-15-24-38(34)42/h8-15,17-27H,6-7,16H2,1-5H3
InChIKeyLGXQHGFLPXDVAU-UHFFFAOYSA-N
XLogP11.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.77
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine
CID 59399557
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
10-[3,5-bis(3-butyl-5-methylphenyl)phenyl]phenoxazine
CID 58251245
10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
CID 59399549
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
25-butyl-16,16,22,22-tetramethyl-11-oxa-4-aza-1-boraoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5,7,9,13,17(29),18,20,23(28),24,26-dodecaene
CID 163809994
10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
CID 145010304
2-[3-(9,9-dimethylacridin-10-yl)-5-phenothiazin-10-ylphenyl]isoindole-1,3-dione
CID 130395532
10-(4-butylphenyl)phenothiazine
CID 22381652

Frequently Asked Questions

What is the IUPAC name of 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine (CID 59399664) is 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine is CCCCc1cc(N2c3ccccc3C(C)(C)c3ccccc32)cc(N2c3ccccc3C(C)(C)c3ccccc32)c1.
What is the InChIKey of 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine?
The InChIKey is LGXQHGFLPXDVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N2/c1-6-7-16-28-25-29(41-35-21-12-8-17-31(35)39(2,3)32-18-9-13-22-36(32)41)27-30(26-28)42-37-23-14-10-19-33(37)40(4,5)34-20-11-15-24-38(34)42/h8-15,17-27H,6-7,16H2,1-5H3.
What are the key properties of 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine?
10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine has a molecular weight of 548.77 g/mol, XLogP of 11.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 59399664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).