3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene

C61H48N4 — CID 90089331

IUPAC3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene
SMILESCC1(C)c2ccccc2N(c2cc3c4c5c(cc(N6c7ccccc7C(C)(C)c7ccccc76)cc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4c2)CC3)c2ccccc21
InChIInChI=1S/C61H48N4/c1-60(2)46-23-11-15-27-51(46)63(52-28-16-12-24-47(52)60)44-33-41-31-32-42-34-45(64-53-29-17-13-25-48(53)61(3,4)49-26-14-18-30-54(49)64)38-56-59(42)58(41)55(37-44)65(56)57-36-43(39-19-7-5-8-20-39)35-50(62-57)40-21-9-6-10-22-40/h5-30,33-38H,31-32H2,1-4H3
InChIKeyXKFOZCCJWPHXJF-UHFFFAOYSA-N
MW837.08 g/mol
LogP15.83
Rot. Bonds5

About 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene

3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene (PubChem CID 90089331) has the molecular formula C61H48N4 and a molecular weight of 837.08 g/mol. Its IUPAC name is 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene.

Molecular Properties

Compound Name3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene
PubChem CID90089331
Molecular FormulaC61H48N4
Molecular Weight837.08 g/mol
Exact Mass836.39
IUPAC Name3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene
SMILESCC1(C)c2ccccc2N(c2cc3c4c5c(cc(N6c7ccccc7C(C)(C)c7ccccc76)cc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4c2)CC3)c2ccccc21
InChIInChI=1S/C61H48N4/c1-60(2)46-23-11-15-27-51(46)63(52-28-16-12-24-47(52)60)44-33-41-31-32-42-34-45(64-53-29-17-13-25-48(53)61(3,4)49-26-14-18-30-54(49)64)38-56-59(42)58(41)55(37-44)65(56)57-36-43(39-19-7-5-8-20-39)35-50(62-57)40-21-9-6-10-22-40/h5-30,33-38H,31-32H2,1-4H3
InChIKeyXKFOZCCJWPHXJF-UHFFFAOYSA-N
XLogP15.83
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.08
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene with MolForge

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Related Compounds

10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine
CID 118472939
10-[4-[6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylacridine
CID 121380931
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
CID 59399668
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
10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine
CID 129290633
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
3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole
CID 88866629
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 160723883
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole;9-(4,6-diphenyl-2-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 163711135

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene?
The IUPAC name of 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene (CID 90089331) is 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene.
What is the SMILES notation for 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene?
The canonical SMILES for 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene is CC1(C)c2ccccc2N(c2cc3c4c5c(cc(N6c7ccccc7C(C)(C)c7ccccc76)cc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4c2)CC3)c2ccccc21.
What is the InChIKey of 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene?
The InChIKey is XKFOZCCJWPHXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N4/c1-60(2)46-23-11-15-27-51(46)63(52-28-16-12-24-47(52)60)44-33-41-31-32-42-34-45(64-53-29-17-13-25-48(53)61(3,4)49-26-14-18-30-54(49)64)38-56-59(42)58(41)55(37-44)65(56)57-36-43(39-19-7-5-8-20-39)35-50(62-57)40-21-9-6-10-22-40/h5-30,33-38H,31-32H2,1-4H3.
What are the key properties of 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene?
3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene has a molecular weight of 837.08 g/mol, XLogP of 15.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene is sourced from PubChem (CID 90089331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).