9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine

C43H48N4 — CID 140717296

IUPAC9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine
SMILESCN1CN(c2cccc(N3c4ccccc4C(C)(C)c4ccc(C(c5ccccn5)(C(C)(C)C)C(C)(C)C)cc43)c2)c2ccccc21
InChIInChI=1S/C43H48N4/c1-40(2,3)43(41(4,5)6,39-23-14-15-26-44-39)30-24-25-34-38(27-30)47(35-20-11-10-19-33(35)42(34,7)8)32-18-16-17-31(28-32)46-29-45(9)36-21-12-13-22-37(36)46/h10-28H,29H2,1-9H3
InChIKeyVKQIOVLWIFNDKD-UHFFFAOYSA-N
MW620.89 g/mol
LogP11.11
Rot. Bonds4

About 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine

9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine (PubChem CID 140717296) has the molecular formula C43H48N4 and a molecular weight of 620.89 g/mol. Its IUPAC name is 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine
PubChem CID140717296
Molecular FormulaC43H48N4
Molecular Weight620.89 g/mol
Exact Mass620.39
IUPAC Name9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine
SMILESCN1CN(c2cccc(N3c4ccccc4C(C)(C)c4ccc(C(c5ccccn5)(C(C)(C)C)C(C)(C)C)cc43)c2)c2ccccc21
InChIInChI=1S/C43H48N4/c1-40(2,3)43(41(4,5)6,39-23-14-15-26-44-39)30-24-25-34-38(27-30)47(35-20-11-10-19-33(35)42(34,7)8)32-18-16-17-31(28-32)46-29-45(9)36-21-12-13-22-37(36)46/h10-28H,29H2,1-9H3
InChIKeyVKQIOVLWIFNDKD-UHFFFAOYSA-N
XLogP11.11
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.89
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine
CID 140716309
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
[9,9-dimethyl-10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]acridin-3-yl]-dimethyl-pyridin-2-ylsilane
CID 140717316
1-[3-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3-methyl-2H-benzimidazole
CID 140715964
11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 140754815
ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine
CID 145348376
19-tert-butyl-5-(11-tert-butyl-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-18-yl)-12,12,16,16,22,22-hexamethyl-1,5,27-triazaheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23(28),24,26-dodecaene
CID 140754922
5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-12,12-dimethylbenzo[b]acridine
CID 163883087
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)phenoxy]phenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine
CID 118553245
9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 140715589
1-[2-[3-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1]benzosilin-5-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848442

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine?
The IUPAC name of 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine (CID 140717296) is 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine.
What is the SMILES notation for 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine?
The canonical SMILES for 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine is CN1CN(c2cccc(N3c4ccccc4C(C)(C)c4ccc(C(c5ccccn5)(C(C)(C)C)C(C)(C)C)cc43)c2)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine?
The InChIKey is VKQIOVLWIFNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N4/c1-40(2,3)43(41(4,5)6,39-23-14-15-26-44-39)30-24-25-34-38(27-30)47(35-20-11-10-19-33(35)42(34,7)8)32-18-16-17-31(28-32)46-29-45(9)36-21-12-13-22-37(36)46/h10-28H,29H2,1-9H3.
What are the key properties of 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine?
9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine has a molecular weight of 620.89 g/mol, XLogP of 11.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)acridine is sourced from PubChem (CID 140717296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).