2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine

C93H66N4 — CID 58881163

IUPAC2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc3-4)cc21
InChIInChI=1S/C93H66N4/c1-91(2)79-47-59(61-37-43-71-73-45-39-63(51-83(73)92(3,4)81(71)49-61)89-94-85(75-31-15-23-55-19-7-11-27-65(55)75)53-86(95-89)76-32-16-24-56-20-8-12-28-66(56)76)35-41-69(79)70-42-36-60(48-80(70)91)62-38-44-72-74-46-40-64(52-84(74)93(5,6)82(72)50-62)90-96-87(77-33-17-25-57-21-9-13-29-67(57)77)54-88(97-90)78-34-18-26-58-22-10-14-30-68(58)78/h7-54H,1-6H3
InChIKeyKXDASGQUJZOSJC-UHFFFAOYSA-N
MW1239.58 g/mol
LogP24.13
Rot. Bonds8

About 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine

2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 58881163) has the molecular formula C93H66N4 and a molecular weight of 1239.58 g/mol. Its IUPAC name is 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID58881163
Molecular FormulaC93H66N4
Molecular Weight1239.58 g/mol
Exact Mass1238.53
IUPAC Name2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc3-4)cc21
InChIInChI=1S/C93H66N4/c1-91(2)79-47-59(61-37-43-71-73-45-39-63(51-83(73)92(3,4)81(71)49-61)89-94-85(75-31-15-23-55-19-7-11-27-65(55)75)53-86(95-89)76-32-16-24-56-20-8-12-28-66(56)76)35-41-69(79)70-42-36-60(48-80(70)91)62-38-44-72-74-46-40-64(52-84(74)93(5,6)82(72)50-62)90-96-87(77-33-17-25-57-21-9-13-29-67(57)77)54-88(97-90)78-34-18-26-58-22-10-14-30-68(58)78/h7-54H,1-6H3
InChIKeyKXDASGQUJZOSJC-UHFFFAOYSA-N
XLogP24.13
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.58
LogP ≤ 524.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine (CID 58881163) is 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc3-4)cc21.
What is the InChIKey of 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is KXDASGQUJZOSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H66N4/c1-91(2)79-47-59(61-37-43-71-73-45-39-63(51-83(73)92(3,4)81(71)49-61)89-94-85(75-31-15-23-55-19-7-11-27-65(55)75)53-86(95-89)76-32-16-24-56-20-8-12-28-66(56)76)35-41-69(79)70-42-36-60(48-80(70)91)62-38-44-72-74-46-40-64(52-84(74)93(5,6)82(72)50-62)90-96-87(77-33-17-25-57-21-9-13-29-67(57)77)54-88(97-90)78-34-18-26-58-22-10-14-30-68(58)78/h7-54H,1-6H3.
What are the key properties of 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine has a molecular weight of 1239.58 g/mol, XLogP of 24.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[7-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 58881163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).