2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine

C54H41N3 — CID 131983038

IUPAC2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc(-c4nc5cc(-c6ccccc6)cnc5n4-c4ccccc4)c3)ccc21
InChIInChI=1S/C54H41N3/c1-53(2)46-21-13-11-19-42(46)44-30-35(23-25-48(44)53)37-27-38(36-24-26-49-45(31-36)43-20-12-14-22-47(43)54(49,3)4)29-39(28-37)51-56-50-32-40(34-15-7-5-8-16-34)33-55-52(50)57(51)41-17-9-6-10-18-41/h5-33H,1-4H3
InChIKeyOIFVEGJMLJLFNM-UHFFFAOYSA-N
MW731.94 g/mol
LogP13.70
Rot. Bonds5

About 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine

2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine (PubChem CID 131983038) has the molecular formula C54H41N3 and a molecular weight of 731.94 g/mol. Its IUPAC name is 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine
PubChem CID131983038
Molecular FormulaC54H41N3
Molecular Weight731.94 g/mol
Exact Mass731.33
IUPAC Name2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc(-c4nc5cc(-c6ccccc6)cnc5n4-c4ccccc4)c3)ccc21
InChIInChI=1S/C54H41N3/c1-53(2)46-21-13-11-19-42(46)44-30-35(23-25-48(44)53)37-27-38(36-24-26-49-45(31-36)43-20-12-14-22-47(43)54(49,3)4)29-39(28-37)51-56-50-32-40(34-15-7-5-8-16-34)33-55-52(50)57(51)41-17-9-6-10-18-41/h5-33H,1-4H3
InChIKeyOIFVEGJMLJLFNM-UHFFFAOYSA-N
XLogP13.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole
CID 164783517
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
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
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 131983194
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
5-[3-(1,2-diphenylbenzimidazol-5-yl)-5-spiro[fluorene-9,9'-thioxanthene]-3-ylphenyl]-1,2-diphenylbenzimidazole
CID 164783790
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 167344491
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine (CID 131983038) is 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc(-c4nc5cc(-c6ccccc6)cnc5n4-c4ccccc4)c3)ccc21.
What is the InChIKey of 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine?
The InChIKey is OIFVEGJMLJLFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N3/c1-53(2)46-21-13-11-19-42(46)44-30-35(23-25-48(44)53)37-27-38(36-24-26-49-45(31-36)43-20-12-14-22-47(43)54(49,3)4)29-39(28-37)51-56-50-32-40(34-15-7-5-8-16-34)33-55-52(50)57(51)41-17-9-6-10-18-41/h5-33H,1-4H3.
What are the key properties of 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine?
2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine has a molecular weight of 731.94 g/mol, XLogP of 13.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 131983038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).