2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine

C73H60N4 — CID 138736072

IUPAC2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine
SMILESCC1(C)c2ccccc2C(c2ccc3c(c2)C(C)(C)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2N3c2ccc(-c3c(-c4ccccc4)nn(-c4ccccc4)c3-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C73H60N4/c1-71(2)57-32-18-16-30-55(57)67(56-31-17-19-33-58(56)71)51-40-44-65-61(46-51)73(5,6)62-47-54(76-63-36-22-20-34-59(63)72(3,4)60-35-21-23-37-64(60)76)43-45-66(62)75(65)52-41-38-48(39-42-52)68-69(49-24-10-7-11-25-49)74-77(53-28-14-9-15-29-53)70(68)50-26-12-8-13-27-50/h7-47,67H,1-6H3
InChIKeyZGJPCIGVIYIQIB-UHFFFAOYSA-N
MW993.31 g/mol
LogP18.91
Rot. Bonds7

About 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine

2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine (PubChem CID 138736072) has the molecular formula C73H60N4 and a molecular weight of 993.31 g/mol. Its IUPAC name is 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine.

Molecular Properties

Compound Name2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine
PubChem CID138736072
Molecular FormulaC73H60N4
Molecular Weight993.31 g/mol
Exact Mass992.48
IUPAC Name2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine
SMILESCC1(C)c2ccccc2C(c2ccc3c(c2)C(C)(C)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2N3c2ccc(-c3c(-c4ccccc4)nn(-c4ccccc4)c3-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C73H60N4/c1-71(2)57-32-18-16-30-55(57)67(56-31-17-19-33-58(56)71)51-40-44-65-61(46-51)73(5,6)62-47-54(76-63-36-22-20-34-59(63)72(3,4)60-35-21-23-37-64(60)76)43-45-66(62)75(65)52-41-38-48(39-42-52)68-69(49-24-10-7-11-25-49)74-77(53-28-14-9-15-29-53)70(68)50-26-12-8-13-27-50/h7-47,67H,1-6H3
InChIKeyZGJPCIGVIYIQIB-UHFFFAOYSA-N
XLogP18.91
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.31
LogP ≤ 518.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine with MolForge

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Related Compounds

10-[4-[6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylacridine
CID 121380931
2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
CID 134579023
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine;10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 157103657
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961
10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 121475671
5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine
CID 91287474
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
CID 121337021

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine?
The IUPAC name of 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine (CID 138736072) is 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine.
What is the SMILES notation for 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine?
The canonical SMILES for 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine is CC1(C)c2ccccc2C(c2ccc3c(c2)C(C)(C)c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2N3c2ccc(-c3c(-c4ccccc4)nn(-c4ccccc4)c3-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine?
The InChIKey is ZGJPCIGVIYIQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H60N4/c1-71(2)57-32-18-16-30-55(57)67(56-31-17-19-33-58(56)71)51-40-44-65-61(46-51)73(5,6)62-47-54(76-63-36-22-20-34-59(63)72(3,4)60-35-21-23-37-64(60)76)43-45-66(62)75(65)52-41-38-48(39-42-52)68-69(49-24-10-7-11-25-49)74-77(53-28-14-9-15-29-53)70(68)50-26-12-8-13-27-50/h7-47,67H,1-6H3.
What are the key properties of 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine?
2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine has a molecular weight of 993.31 g/mol, XLogP of 18.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylacridin-10-yl)-7-(10,10-dimethyl-9H-anthracen-9-yl)-9,9-dimethyl-10-[4-(1,3,5-triphenylpyrazol-4-yl)phenyl]acridine is sourced from PubChem (CID 138736072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).