2-[2-[7-[7-[9,9-dimethyl-7-[2-(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 58881019

IUPAC2-[2-[7-[7-[9,9-dimethyl-7-[2-(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(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5cccc(-c6ccccn6)n5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5cccc(-c6ccccn6)n5)ccc3-4)cc21
InChIInChI=1S/C77H58N4/c1-75(2)63-41-47(49-29-35-57-59-37-31-51(45-67(59)76(3,4)65(57)43-49)53-17-7-9-19-61(53)69-23-15-25-73(80-69)71-21-11-13-39-78-71)27-33-55(63)56-34-28-48(42-64(56)75)50-30-36-58-60-38-32-52(46-68(60)77(5,6)66(58)44-50)54-18-8-10-20-62(54)70-24-16-26-74(81-70)72-22-12-14-40-79-72/h7-46H,1-6H3
InChIKeyHYOIIEXEXAZHIL-UHFFFAOYSA-N
MW1039.34 g/mol
LogP19.52
Rot. Bonds8

About 2-[2-[7-[7-[9,9-dimethyl-7-[2-(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-[2-[7-[7-[9,9-dimethyl-7-[2-(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 58881019) has the molecular formula C77H58N4 and a molecular weight of 1039.34 g/mol. Its IUPAC name is 2-[2-[7-[7-[9,9-dimethyl-7-[2-(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-[2-[7-[7-[9,9-dimethyl-7-[2-(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 CID58881019
Molecular FormulaC77H58N4
Molecular Weight1039.34 g/mol
Exact Mass1038.47
IUPAC Name2-[2-[7-[7-[9,9-dimethyl-7-[2-(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(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5cccc(-c6ccccn6)n5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5cccc(-c6ccccn6)n5)ccc3-4)cc21
InChIInChI=1S/C77H58N4/c1-75(2)63-41-47(49-29-35-57-59-37-31-51(45-67(59)76(3,4)65(57)43-49)53-17-7-9-19-61(53)69-23-15-25-73(80-69)71-21-11-13-39-78-71)27-33-55(63)56-34-28-48(42-64(56)75)50-30-36-58-60-38-32-52(46-68(60)77(5,6)66(58)44-50)54-18-8-10-20-62(54)70-24-16-26-74(81-70)72-22-12-14-40-79-72/h7-46H,1-6H3
InChIKeyHYOIIEXEXAZHIL-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-[2-[7-[7-[9,9-dimethyl-7-[2-(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-[2-[7-[7-[9,9-dimethyl-7-[2-(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-[2-[7-[7-[9,9-dimethyl-7-[2-(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 58881019) is 2-[2-[7-[7-[9,9-dimethyl-7-[2-(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-[2-[7-[7-[9,9-dimethyl-7-[2-(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-[2-[7-[7-[9,9-dimethyl-7-[2-(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(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5cccc(-c6ccccn6)n5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5cccc(-c6ccccn6)n5)ccc3-4)cc21.
What is the InChIKey of 2-[2-[7-[7-[9,9-dimethyl-7-[2-(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 HYOIIEXEXAZHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H58N4/c1-75(2)63-41-47(49-29-35-57-59-37-31-51(45-67(59)76(3,4)65(57)43-49)53-17-7-9-19-61(53)69-23-15-25-73(80-69)71-21-11-13-39-78-71)27-33-55(63)56-34-28-48(42-64(56)75)50-30-36-58-60-38-32-52(46-68(60)77(5,6)66(58)44-50)54-18-8-10-20-62(54)70-24-16-26-74(81-70)72-22-12-14-40-79-72/h7-46H,1-6H3.
What are the key properties of 2-[2-[7-[7-[9,9-dimethyl-7-[2-(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-[2-[7-[7-[9,9-dimethyl-7-[2-(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-[2-[7-[7-[9,9-dimethyl-7-[2-(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 58881019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).