4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine

C60H45N — CID 142480534

IUPAC4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3c(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cccc3C43c4ccccc4C(C)(C)c4ccccc43)cc21
InChIInChI=1S/C60H45N/c1-58(2)47-24-12-11-22-44(47)45-32-30-41(35-54(45)58)40-31-33-48-46(34-40)57-43(42-36-55(38-18-7-5-8-19-38)61-56(37-42)39-20-9-6-10-21-39)23-17-29-53(57)60(48)51-27-15-13-25-49(51)59(3,4)50-26-14-16-28-52(50)60/h5-37H,1-4H3
InChIKeyOJIYJYXYZOZHED-UHFFFAOYSA-N
MW780.03 g/mol
LogP15.06
Rot. Bonds4

About 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine

4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine (PubChem CID 142480534) has the molecular formula C60H45N and a molecular weight of 780.03 g/mol. Its IUPAC name is 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine
PubChem CID142480534
Molecular FormulaC60H45N
Molecular Weight780.03 g/mol
Exact Mass779.36
IUPAC Name4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3c(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cccc3C43c4ccccc4C(C)(C)c4ccccc43)cc21
InChIInChI=1S/C60H45N/c1-58(2)47-24-12-11-22-44(47)45-32-30-41(35-54(45)58)40-31-33-48-46(34-40)57-43(42-36-55(38-18-7-5-8-19-38)61-56(37-42)39-20-9-6-10-21-39)23-17-29-53(57)60(48)51-27-15-13-25-49(51)59(3,4)50-26-14-16-28-52(50)60/h5-37H,1-4H3
InChIKeyOJIYJYXYZOZHED-UHFFFAOYSA-N
XLogP15.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine
CID 153293199
2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 142480512
2-[9,9-dimethyl-6'-[3-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyrimidine
CID 142480360
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158046858
4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;2,6-diphenyl-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 161455672
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 176795340
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356706
CID 140720702
CID 140720702
4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyrimidine;4-[9,9-dimethyl-6'-(10-phenylanthracen-9-yl)spiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyrimidine;4-[6'-(9,9-diphenylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyrimidine
CID 158383269
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712

Frequently Asked Questions

What is the IUPAC name of 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine?
The IUPAC name of 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine (CID 142480534) is 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3c(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cccc3C43c4ccccc4C(C)(C)c4ccccc43)cc21.
What is the InChIKey of 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine?
The InChIKey is OJIYJYXYZOZHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N/c1-58(2)47-24-12-11-22-44(47)45-32-30-41(35-54(45)58)40-31-33-48-46(34-40)57-43(42-36-55(38-18-7-5-8-19-38)61-56(37-42)39-20-9-6-10-21-39)23-17-29-53(57)60(48)51-27-15-13-25-49(51)59(3,4)50-26-14-16-28-52(50)60/h5-37H,1-4H3.
What are the key properties of 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine?
4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine has a molecular weight of 780.03 g/mol, XLogP of 15.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6'-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-2,6-diphenylpyridine is sourced from PubChem (CID 142480534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).