9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine

C64H55N5 — CID 176643108

IUPAC9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine
SMILESCc1cc(C)c(-c2ccnc(N3c4ccccc4C(C)(C)c4ccc(-c5cc(C)cc6c5nc(-c5ccc(-c7c(C)cc(C)cc7C)c7c5[nH]c5ccccc57)n6-c5ccccc5)cc43)c2)c(C)c1
InChIInChI=1S/C64H55N5/c1-37-29-40(4)58(41(5)30-37)45-27-28-65-57(36-45)69-54-22-16-14-20-51(54)64(8,9)52-26-23-44(35-55(52)69)50-33-39(3)34-56-61(50)67-63(68(56)46-17-11-10-12-18-46)49-25-24-48(59-42(6)31-38(2)32-43(59)7)60-47-19-13-15-21-53(47)66-62(49)60/h10-36,66H,1-9H3
InChIKeyVGZWFIRWFAILSW-UHFFFAOYSA-N
MW894.18 g/mol
LogP16.99
Rot. Bonds6

About 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine

9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine (PubChem CID 176643108) has the molecular formula C64H55N5 and a molecular weight of 894.18 g/mol. Its IUPAC name is 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine
PubChem CID176643108
Molecular FormulaC64H55N5
Molecular Weight894.18 g/mol
Exact Mass893.45
IUPAC Name9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine
SMILESCc1cc(C)c(-c2ccnc(N3c4ccccc4C(C)(C)c4ccc(-c5cc(C)cc6c5nc(-c5ccc(-c7c(C)cc(C)cc7C)c7c5[nH]c5ccccc57)n6-c5ccccc5)cc43)c2)c(C)c1
InChIInChI=1S/C64H55N5/c1-37-29-40(4)58(41(5)30-37)45-27-28-65-57(36-45)69-54-22-16-14-20-51(54)64(8,9)52-26-23-44(35-55(52)69)50-33-39(3)34-56-61(50)67-63(68(56)46-17-11-10-12-18-46)49-25-24-48(59-42(6)31-38(2)32-43(59)7)60-47-19-13-15-21-53(47)66-62(49)60/h10-36,66H,1-9H3
InChIKeyVGZWFIRWFAILSW-UHFFFAOYSA-N
XLogP16.99
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.18
LogP ≤ 516.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine with MolForge

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Related Compounds

3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
CID 176643376
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
CID 171580112
2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-7-(2-phenylethynyl)quinolin-8-ol
CID 171580248
2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole
CID 176643474
5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine
CID 176643463
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 130231638
2-[2-(9H-carbazol-1-yl)-6-methyl-1-(3-methylphenyl)benzimidazol-4-yl]-6-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 176642714
14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 70808516
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]-7-phenylquinoline-8-thiol
CID 171580328
1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole
CID 176643524

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine?
The IUPAC name of 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine (CID 176643108) is 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine.
What is the SMILES notation for 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine?
The canonical SMILES for 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine is Cc1cc(C)c(-c2ccnc(N3c4ccccc4C(C)(C)c4ccc(-c5cc(C)cc6c5nc(-c5ccc(-c7c(C)cc(C)cc7C)c7c5[nH]c5ccccc57)n6-c5ccccc5)cc43)c2)c(C)c1.
What is the InChIKey of 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine?
The InChIKey is VGZWFIRWFAILSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N5/c1-37-29-40(4)58(41(5)30-37)45-27-28-65-57(36-45)69-54-22-16-14-20-51(54)64(8,9)52-26-23-44(35-55(52)69)50-33-39(3)34-56-61(50)67-63(68(56)46-17-11-10-12-18-46)49-25-24-48(59-42(6)31-38(2)32-43(59)7)60-47-19-13-15-21-53(47)66-62(49)60/h10-36,66H,1-9H3.
What are the key properties of 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine?
9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine has a molecular weight of 894.18 g/mol, XLogP of 16.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine is sourced from PubChem (CID 176643108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).