2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane

C56H51N3 — CID 145377212

IUPAC2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane
SMILESCC.CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc(C4NC5=C(NCC(c6ccccc6)=C5)N4c4ccccc4)c3)ccc21
InChIInChI=1S/C54H45N3.C2H6/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;1-2/h5-32,51,55-56H,33H2,1-4H3;1-2H3
InChIKeyDJIBTYVWVITKBA-UHFFFAOYSA-N
MW766.05 g/mol
LogP13.62
Rot. Bonds5

About 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane

2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane (PubChem CID 145377212) has the molecular formula C56H51N3 and a molecular weight of 766.05 g/mol. Its IUPAC name is 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane.

Molecular Properties

Compound Name2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane
PubChem CID145377212
Molecular FormulaC56H51N3
Molecular Weight766.05 g/mol
Exact Mass765.41
IUPAC Name2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane
SMILESCC.CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc(C4NC5=C(NCC(c6ccccc6)=C5)N4c4ccccc4)c3)ccc21
InChIInChI=1S/C54H45N3.C2H6/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;1-2/h5-32,51,55-56H,33H2,1-4H3;1-2H3
InChIKeyDJIBTYVWVITKBA-UHFFFAOYSA-N
XLogP13.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.05
LogP ≤ 513.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine
CID 145377196
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene
CID 145377641
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
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 167344491
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane?
The IUPAC name of 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane (CID 145377212) is 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane.
What is the SMILES notation for 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane?
The canonical SMILES for 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane is CC.CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc(C4NC5=C(NCC(c6ccccc6)=C5)N4c4ccccc4)c3)ccc21.
What is the InChIKey of 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane?
The InChIKey is DJIBTYVWVITKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N3.C2H6/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;1-2/h5-32,51,55-56H,33H2,1-4H3;1-2H3.
What are the key properties of 2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane?
2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane has a molecular weight of 766.05 g/mol, XLogP of 13.62, 5 rotatable bonds, 2 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-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane is sourced from PubChem (CID 145377212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).