4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine

C55H37N3 — CID 166685227

IUPAC4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine
SMILESCC1(C)c2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)ccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C55H37N3/c1-54(2)47-29-34(35-22-26-43-40-15-5-8-18-46(40)55(49(43)31-35)44-16-6-3-13-38(44)39-14-4-7-17-45(39)55)21-24-41(47)42-25-23-36(30-48(42)54)37-32-52(50-19-9-11-27-56-50)58-53(33-37)51-20-10-12-28-57-51/h3-33H,1-2H3
InChIKeyMYJYMMIIUKFCBF-UHFFFAOYSA-N
MW739.92 g/mol
LogP13.19
Rot. Bonds4

About 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine

4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine (PubChem CID 166685227) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine
PubChem CID166685227
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine
SMILESCC1(C)c2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)ccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C55H37N3/c1-54(2)47-29-34(35-22-26-43-40-15-5-8-18-46(40)55(49(43)31-35)44-16-6-3-13-38(44)39-14-4-7-17-45(39)55)21-24-41(47)42-25-23-36(30-48(42)54)37-32-52(50-19-9-11-27-56-50)58-53(33-37)51-20-10-12-28-57-51/h3-33H,1-2H3
InChIKeyMYJYMMIIUKFCBF-UHFFFAOYSA-N
XLogP13.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047
4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 138574143
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
CID 58881166
4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 166995778
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 168777700
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-phenylphenyl]pyridine
CID 58880979
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578
4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline
CID 135132558
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine (CID 166685227) is 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine is CC1(C)c2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)ccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is MYJYMMIIUKFCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-54(2)47-29-34(35-22-26-43-40-15-5-8-18-46(40)55(49(43)31-35)44-16-6-3-13-38(44)39-14-4-7-17-45(39)55)21-24-41(47)42-25-23-36(30-48(42)54)37-32-52(50-19-9-11-27-56-50)58-53(33-37)51-20-10-12-28-57-51/h3-33H,1-2H3.
What are the key properties of 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine?
4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 739.92 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 166685227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).