10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine

C72H54N6 — CID 129290633

IUPAC10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c(N4c5ccccc5C(C)(C)c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)c2ccccc21
InChIInChI=1S/C72H54N6/c1-71(2)55-33-17-21-37-63(55)77(64-38-22-18-34-56(64)71)67-43-51(61-45-59(47-25-9-5-10-26-47)73-69(75-61)49-29-13-7-14-30-49)42-54-53(67)41-52(62-46-60(48-27-11-6-12-28-48)74-70(76-62)50-31-15-8-16-32-50)44-68(54)78-65-39-23-19-35-57(65)72(3,4)58-36-20-24-40-66(58)78/h5-46H,1-4H3
InChIKeyNPXMETPKWHDHNX-UHFFFAOYSA-N
MW1003.27 g/mol
LogP18.64
Rot. Bonds8

About 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine

10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine (PubChem CID 129290633) has the molecular formula C72H54N6 and a molecular weight of 1003.27 g/mol. Its IUPAC name is 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine
PubChem CID129290633
Molecular FormulaC72H54N6
Molecular Weight1003.27 g/mol
Exact Mass1002.44
IUPAC Name10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c(N4c5ccccc5C(C)(C)c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)c2ccccc21
InChIInChI=1S/C72H54N6/c1-71(2)55-33-17-21-37-63(55)77(64-38-22-18-34-56(64)71)67-43-51(61-45-59(47-25-9-5-10-26-47)73-69(75-61)49-29-13-7-14-30-49)42-54-53(67)41-52(62-46-60(48-27-11-6-12-28-48)74-70(76-62)50-31-15-8-16-32-50)44-68(54)78-65-39-23-19-35-57(65)72(3,4)58-36-20-24-40-66(58)78/h5-46H,1-4H3
InChIKeyNPXMETPKWHDHNX-UHFFFAOYSA-N
XLogP18.64
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.27
LogP ≤ 518.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylnaphthalen-1-yl]phenothiazine
CID 129290643
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179
5-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-3,7-bis(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793863
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine
CID 134579076
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
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
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 88855533

Frequently Asked Questions

What is the IUPAC name of 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine (CID 129290633) is 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c(N4c5ccccc5C(C)(C)c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)c2ccccc21.
What is the InChIKey of 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine?
The InChIKey is NPXMETPKWHDHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N6/c1-71(2)55-33-17-21-37-63(55)77(64-38-22-18-34-56(64)71)67-43-51(61-45-59(47-25-9-5-10-26-47)73-69(75-61)49-29-13-7-14-30-49)42-54-53(67)41-52(62-46-60(48-27-11-6-12-28-48)74-70(76-62)50-31-15-8-16-32-50)44-68(54)78-65-39-23-19-35-57(65)72(3,4)58-36-20-24-40-66(58)78/h5-46H,1-4H3.
What are the key properties of 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine?
10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine has a molecular weight of 1003.27 g/mol, XLogP of 18.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine is sourced from PubChem (CID 129290633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).