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

C94H54F4N4 — CID 134274448

IUPAC2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine
SMILESFC1(F)c2cc(-c3ccc4cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc(-c7ccc8c(c7)C(F)(F)c7ccccc7-8)c7ccccc67)n5)ccc4c3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)cc21
InChIInChI=1S/C94H54F4N4/c95-93(96)83-24-12-11-23-77(83)78-39-36-65(51-85(78)93)72-42-44-82(76-22-10-8-20-74(72)76)92-100-87(67-31-25-55-13-1-4-16-58(55)46-67)53-88(101-92)69-33-30-61-45-62(28-29-63(61)48-69)64-35-38-79-80-40-37-66(52-86(80)94(97,98)84(79)50-64)71-41-43-81(75-21-9-7-19-73(71)75)90-54-89(68-32-26-56-14-2-5-17-59(56)47-68)99-91(102-90)70-34-27-57-15-3-6-18-60(57)49-70/h1-54H
InChIKeyGVQDNNXSGVEKOE-UHFFFAOYSA-N
MW1315.49 g/mol
LogP25.43
Rot. Bonds9

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

2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine (PubChem CID 134274448) has the molecular formula C94H54F4N4 and a molecular weight of 1315.49 g/mol. Its IUPAC name is 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine
PubChem CID134274448
Molecular FormulaC94H54F4N4
Molecular Weight1315.49 g/mol
Exact Mass1314.43
IUPAC Name2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine
SMILESFC1(F)c2cc(-c3ccc4cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc(-c7ccc8c(c7)C(F)(F)c7ccccc7-8)c7ccccc67)n5)ccc4c3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)cc21
InChIInChI=1S/C94H54F4N4/c95-93(96)83-24-12-11-23-77(83)78-39-36-65(51-85(78)93)72-42-44-82(76-22-10-8-20-74(72)76)92-100-87(67-31-25-55-13-1-4-16-58(55)46-67)53-88(101-92)69-33-30-61-45-62(28-29-63(61)48-69)64-35-38-79-80-40-37-66(52-86(80)94(97,98)84(79)50-64)71-41-43-81(75-21-9-7-19-73(71)75)90-54-89(68-32-26-56-14-2-5-17-59(56)47-68)99-91(102-90)70-34-27-57-15-3-6-18-60(57)49-70/h1-54H
InChIKeyGVQDNNXSGVEKOE-UHFFFAOYSA-N
XLogP25.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001315.49
LogP ≤ 525.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine?
The IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine (CID 134274448) is 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine is FC1(F)c2cc(-c3ccc4cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc(-c7ccc8c(c7)C(F)(F)c7ccccc7-8)c7ccccc67)n5)ccc4c3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)cc21.
What is the InChIKey of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine?
The InChIKey is GVQDNNXSGVEKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H54F4N4/c95-93(96)83-24-12-11-23-77(83)78-39-36-65(51-85(78)93)72-42-44-82(76-22-10-8-20-74(72)76)92-100-87(67-31-25-55-13-1-4-16-58(55)46-67)53-88(101-92)69-33-30-61-45-62(28-29-63(61)48-69)64-35-38-79-80-40-37-66(52-86(80)94(97,98)84(79)50-64)71-41-43-81(75-21-9-7-19-73(71)75)90-54-89(68-32-26-56-14-2-5-17-59(56)47-68)99-91(102-90)70-34-27-57-15-3-6-18-60(57)49-70/h1-54H.
What are the key properties of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine?
2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine has a molecular weight of 1315.49 g/mol, XLogP of 25.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[6-[7-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]naphthalen-2-yl]-6-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 134274448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).