5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine

C58H43ClN2 — CID 134313305

IUPAC5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4-c4cc(Cl)cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5)c4)cn3)cc21
InChIInChI=1S/C58H43ClN2/c1-57(2)51-19-11-9-17-47(51)49-25-21-36(32-53(49)57)55-27-23-38(34-60-55)43-13-5-7-15-45(43)40-29-41(31-42(59)30-40)46-16-8-6-14-44(46)39-24-28-56(61-35-39)37-22-26-50-48-18-10-12-20-52(48)58(3,4)54(50)33-37/h5-35H,1-4H3
InChIKeyFVQDUQDHQZDPGA-UHFFFAOYSA-N
MW803.45 g/mol
LogP15.74
Rot. Bonds6

About 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine

5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine (PubChem CID 134313305) has the molecular formula C58H43ClN2 and a molecular weight of 803.45 g/mol. Its IUPAC name is 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine
PubChem CID134313305
Molecular FormulaC58H43ClN2
Molecular Weight803.45 g/mol
Exact Mass802.31
IUPAC Name5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4-c4cc(Cl)cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5)c4)cn3)cc21
InChIInChI=1S/C58H43ClN2/c1-57(2)51-19-11-9-17-47(51)49-25-21-36(32-53(49)57)55-27-23-38(34-60-55)43-13-5-7-15-45(43)40-29-41(31-42(59)30-40)46-16-8-6-14-44(46)39-24-28-56(61-35-39)37-22-26-50-48-18-10-12-20-52(48)58(3,4)54(50)33-37/h5-35H,1-4H3
InChIKeyFVQDUQDHQZDPGA-UHFFFAOYSA-N
XLogP15.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.45
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine?
The IUPAC name of 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine (CID 134313305) is 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine.
What is the SMILES notation for 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine?
The canonical SMILES for 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4-c4cc(Cl)cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5)c4)cn3)cc21.
What is the InChIKey of 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine?
The InChIKey is FVQDUQDHQZDPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43ClN2/c1-57(2)51-19-11-9-17-47(51)49-25-21-36(32-53(49)57)55-27-23-38(34-60-55)43-13-5-7-15-45(43)40-29-41(31-42(59)30-40)46-16-8-6-14-44(46)39-24-28-56(61-35-39)37-22-26-50-48-18-10-12-20-52(48)58(3,4)54(50)33-37/h5-35H,1-4H3.
What are the key properties of 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine?
5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine has a molecular weight of 803.45 g/mol, XLogP of 15.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-chloro-5-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(9,9-dimethylfluoren-2-yl)pyridine is sourced from PubChem (CID 134313305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).