4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine

C71H51N7 — CID 58881116

IUPAC4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)nc(-c8ccccn8)n7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc21
InChIInChI=1S/C71H51N7/c1-70(2)57-37-48(25-29-53(57)55-31-27-50(39-59(55)70)52-41-66(61-13-5-9-33-72-61)76-67(42-52)62-14-6-10-34-73-62)46-21-17-44(18-22-46)45-19-23-47(24-20-45)49-26-30-54-56-32-28-51(40-60(56)71(3,4)58(54)38-49)65-43-68(63-15-7-11-35-74-63)78-69(77-65)64-16-8-12-36-75-64/h5-43H,1-4H3
InChIKeyKYNCEMDMGBFAAV-UHFFFAOYSA-N
MW1002.24 g/mol
LogP17.07
Rot. Bonds9

About 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine

4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine (PubChem CID 58881116) has the molecular formula C71H51N7 and a molecular weight of 1002.24 g/mol. Its IUPAC name is 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine
PubChem CID58881116
Molecular FormulaC71H51N7
Molecular Weight1002.24 g/mol
Exact Mass1001.42
IUPAC Name4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)nc(-c8ccccn8)n7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc21
InChIInChI=1S/C71H51N7/c1-70(2)57-37-48(25-29-53(57)55-31-27-50(39-59(55)70)52-41-66(61-13-5-9-33-72-61)76-67(42-52)62-14-6-10-34-73-62)46-21-17-44(18-22-46)45-19-23-47(24-20-45)49-26-30-54-56-32-28-51(40-60(56)71(3,4)58(54)38-49)65-43-68(63-15-7-11-35-74-63)78-69(77-65)64-16-8-12-36-75-64/h5-43H,1-4H3
InChIKeyKYNCEMDMGBFAAV-UHFFFAOYSA-N
XLogP17.07
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.24
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine?
The IUPAC name of 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine (CID 58881116) is 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine?
The canonical SMILES for 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cc(-c8ccccn8)nc(-c8ccccn8)n7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc21.
What is the InChIKey of 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine?
The InChIKey is KYNCEMDMGBFAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51N7/c1-70(2)57-37-48(25-29-53(57)55-31-27-50(39-59(55)70)52-41-66(61-13-5-9-33-72-61)76-67(42-52)62-14-6-10-34-73-62)46-21-17-44(18-22-46)45-19-23-47(24-20-45)49-26-30-54-56-32-28-51(40-60(56)71(3,4)58(54)38-49)65-43-68(63-15-7-11-35-74-63)78-69(77-65)64-16-8-12-36-75-64/h5-43H,1-4H3.
What are the key properties of 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine?
4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine has a molecular weight of 1002.24 g/mol, XLogP of 17.07, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-[4-[7-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-2,6-dipyridin-2-ylpyrimidine is sourced from PubChem (CID 58881116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).