2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine

C52H41N3 — CID 71007179

IUPAC2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccccc3)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C52H41N3/c1-51(2)42-22-14-15-23-48(42)55(39-20-12-7-13-21-39)49-29-26-37(31-45(49)51)36-24-27-40-41-28-25-38(32-44(41)52(3,4)43(40)30-36)47-33-46(34-16-8-5-9-17-34)53-50(54-47)35-18-10-6-11-19-35/h5-33H,1-4H3
InChIKeyPDJKVNPTLZEVQI-UHFFFAOYSA-N
MW707.92 g/mol
LogP13.56
Rot. Bonds5

About 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine

2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine (PubChem CID 71007179) has the molecular formula C52H41N3 and a molecular weight of 707.92 g/mol. Its IUPAC name is 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
PubChem CID71007179
Molecular FormulaC52H41N3
Molecular Weight707.92 g/mol
Exact Mass707.33
IUPAC Name2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccccc3)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C52H41N3/c1-51(2)42-22-14-15-23-48(42)55(39-20-12-7-13-21-39)49-29-26-37(31-45(49)51)36-24-27-40-41-28-25-38(32-44(41)52(3,4)43(40)30-36)47-33-46(34-16-8-5-9-17-34)53-50(54-47)35-18-10-6-11-19-35/h5-33H,1-4H3
InChIKeyPDJKVNPTLZEVQI-UHFFFAOYSA-N
XLogP13.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine with MolForge

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
CID 89183043
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 134578950
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
2'-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167176793

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine (CID 71007179) is 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccccc3)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine?
The InChIKey is PDJKVNPTLZEVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N3/c1-51(2)42-22-14-15-23-48(42)55(39-20-12-7-13-21-39)49-29-26-37(31-45(49)51)36-24-27-40-41-28-25-38(32-44(41)52(3,4)43(40)30-36)47-33-46(34-16-8-5-9-17-34)53-50(54-47)35-18-10-6-11-19-35/h5-33H,1-4H3.
What are the key properties of 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine?
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine has a molecular weight of 707.92 g/mol, XLogP of 13.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 71007179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).