2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine

C77H58N4 — CID 58881141

IUPAC2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine
SMILESCC1(C)c2cc(-c3cccc(-c4cccc(-c5ccccn5)n4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8cccc(-c9ccccn9)n8)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C77H58N4/c1-75(2)63-41-49(47-15-11-17-55(39-47)69-21-13-23-73(80-69)71-19-7-9-37-78-71)25-31-57(63)59-33-27-51(43-65(59)75)53-29-35-61-62-36-30-54(46-68(62)77(5,6)67(61)45-53)52-28-34-60-58-32-26-50(42-64(58)76(3,4)66(60)44-52)48-16-12-18-56(40-48)70-22-14-24-74(81-70)72-20-8-10-38-79-72/h7-46H,1-6H3
InChIKeyGJWWOZGITGCDJA-UHFFFAOYSA-N
MW1039.34 g/mol
LogP19.52
Rot. Bonds8

About 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine

2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine (PubChem CID 58881141) has the molecular formula C77H58N4 and a molecular weight of 1039.34 g/mol. Its IUPAC name is 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine
PubChem CID58881141
Molecular FormulaC77H58N4
Molecular Weight1039.34 g/mol
Exact Mass1038.47
IUPAC Name2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine
SMILESCC1(C)c2cc(-c3cccc(-c4cccc(-c5ccccn5)n4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8cccc(-c9ccccn9)n8)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C77H58N4/c1-75(2)63-41-49(47-15-11-17-55(39-47)69-21-13-23-73(80-69)71-19-7-9-37-78-71)25-31-57(63)59-33-27-51(43-65(59)75)53-29-35-61-62-36-30-54(46-68(62)77(5,6)67(61)45-53)52-28-34-60-58-32-26-50(42-64(58)76(3,4)66(60)44-52)48-16-12-18-56(40-48)70-22-14-24-74(81-70)72-20-8-10-38-79-72/h7-46H,1-6H3
InChIKeyGJWWOZGITGCDJA-UHFFFAOYSA-N
XLogP19.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.34
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine (CID 58881141) is 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine is CC1(C)c2cc(-c3cccc(-c4cccc(-c5ccccn5)n4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8cccc(-c9ccccn9)n8)c7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine?
The InChIKey is GJWWOZGITGCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H58N4/c1-75(2)63-41-49(47-15-11-17-55(39-47)69-21-13-23-73(80-69)71-19-7-9-37-78-71)25-31-57(63)59-33-27-51(43-65(59)75)53-29-35-61-62-36-30-54(46-68(62)77(5,6)67(61)45-53)52-28-34-60-58-32-26-50(42-64(58)76(3,4)66(60)44-52)48-16-12-18-56(40-48)70-22-14-24-74(81-70)72-20-8-10-38-79-72/h7-46H,1-6H3.
What are the key properties of 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine?
2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine has a molecular weight of 1039.34 g/mol, XLogP of 19.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[7-[9,9-dimethyl-7-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 58881141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).