4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

C96H72N6 — CID 149466270

IUPAC4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc6c5C(C)(C)c5ccccc5-6)cc4)cc3)ccc2-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc8c7C(C)(C)c7ccccc7-8)c6)cc5)c5c(n4)-c4ccccc4C5(C)C)c3)c21
InChIInChI=1S/C96H72N6/c1-93(2)76-37-18-15-32-73(76)87-81(93)84(97-90(100-87)63-24-11-9-12-25-63)61-48-44-58(45-49-61)57-40-42-60(43-41-57)66-52-53-71-72-36-23-35-70(80(72)96(7,8)79(71)56-66)67-29-22-31-69(55-67)92-98-85(82-88(102-92)74-33-16-19-38-77(74)94(82,3)4)62-50-46-59(47-51-62)65-28-21-30-68(54-65)86-83-89(75-34-17-20-39-78(75)95(83,5)6)101-91(99-86)64-26-13-10-14-27-64/h9-56H,1-8H3
InChIKeyZAMFBSYGKSRKEF-UHFFFAOYSA-N
MW1309.67 g/mol
LogP23.95
Rot. Bonds10

About 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (PubChem CID 149466270) has the molecular formula C96H72N6 and a molecular weight of 1309.67 g/mol. Its IUPAC name is 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
PubChem CID149466270
Molecular FormulaC96H72N6
Molecular Weight1309.67 g/mol
Exact Mass1308.58
IUPAC Name4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc6c5C(C)(C)c5ccccc5-6)cc4)cc3)ccc2-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc8c7C(C)(C)c7ccccc7-8)c6)cc5)c5c(n4)-c4ccccc4C5(C)C)c3)c21
InChIInChI=1S/C96H72N6/c1-93(2)76-37-18-15-32-73(76)87-81(93)84(97-90(100-87)63-24-11-9-12-25-63)61-48-44-58(45-49-61)57-40-42-60(43-41-57)66-52-53-71-72-36-23-35-70(80(72)96(7,8)79(71)56-66)67-29-22-31-69(55-67)92-98-85(82-88(102-92)74-33-16-19-38-77(74)94(82,3)4)62-50-46-59(47-51-62)65-28-21-30-68(54-65)86-83-89(75-34-17-20-39-78(75)95(83,5)6)101-91(99-86)64-26-13-10-14-27-64/h9-56H,1-8H3
InChIKeyZAMFBSYGKSRKEF-UHFFFAOYSA-N
XLogP23.95
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.67
LogP ≤ 523.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine with MolForge

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Related Compounds

2,7-Bis[2-(4-t-butylphenyl)pyrimidin-5-yl]-9,9'-spirobifluorene
CID 69617487
2-[4-(9,9'-Spirobi[fluorene]-4'-yl)phenyl]-4,6-bis(trifluoromethyl)pyrimidine
CID 90059529
2-[5'-(2,2-Dimethylpropyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-bis(trifluoromethyl)pyrimidine
CID 91415170
4-Methyl-2-(9,9'-spirobi[fluorene]-2-yl)-6-(trifluoromethyl)pyrimidine
CID 117956986
4-Fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 118329192
2,4-Bis(9,9-dimethylfluoren-2-yl)-6-[5-(fluoromethyl)-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine
CID 118857404
4-Ethyl-2-(9,9'-spirobi[fluorene]-2-yl)-6-(trifluoromethyl)pyrimidine
CID 123237483
4-(4-Fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
CID 134253237
2-[6-(4,6-Diphenylpyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine
CID 134271761
2-[9,9-Difluoro-6-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)fluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 134271762
4-[6-(2,6-Dinaphthalen-2-ylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-2,6-dinaphthalen-2-ylpyrimidine
CID 134271763
2-[6-(4,6-Dinaphthalen-1-ylpyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 134271764

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The IUPAC name of 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (CID 149466270) is 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The canonical SMILES for 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is CC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc6c5C(C)(C)c5ccccc5-6)cc4)cc3)ccc2-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc8c7C(C)(C)c7ccccc7-8)c6)cc5)c5c(n4)-c4ccccc4C5(C)C)c3)c21.
What is the InChIKey of 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The InChIKey is ZAMFBSYGKSRKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H72N6/c1-93(2)76-37-18-15-32-73(76)87-81(93)84(97-90(100-87)63-24-11-9-12-25-63)61-48-44-58(45-49-61)57-40-42-60(43-41-57)66-52-53-71-72-36-23-35-70(80(72)96(7,8)79(71)56-66)67-29-22-31-69(55-67)92-98-85(82-88(102-92)74-33-16-19-38-77(74)94(82,3)4)62-50-46-59(47-51-62)65-28-21-30-68(54-65)86-83-89(75-34-17-20-39-78(75)95(83,5)6)101-91(99-86)64-26-13-10-14-27-64/h9-56H,1-8H3.
What are the key properties of 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine has a molecular weight of 1309.67 g/mol, XLogP of 23.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[2-[3-[7-[4-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluoren-1-yl]phenyl]-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]phenyl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 149466270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).