2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine

C67H57N3 — CID 176592380

IUPAC2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine
SMILESCc1ccnc(C2(c3cccc(C4(c5cccc(C6(N7C=CN(C)C7)c7cc(C)ccc7-c7ccc(C)cc76)c5)c5cc(C)ccc5-c5ccc(C)cc54)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C67H57N3/c1-41-15-21-52-53-22-16-42(2)32-59(53)65(58(52)31-41,49-12-10-14-51(39-49)67(70-30-29-69(8)40-70)62-35-45(5)19-25-56(62)57-26-20-46(6)36-63(57)67)48-11-9-13-50(38-48)66(64-37-47(7)27-28-68-64)60-33-43(3)17-23-54(60)55-24-18-44(4)34-61(55)66/h9-39H,40H2,1-8H3
InChIKeyYGRRFVJPQYNNGK-UHFFFAOYSA-N
MW904.21 g/mol
LogP14.92
Rot. Bonds6

About 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine

2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine (PubChem CID 176592380) has the molecular formula C67H57N3 and a molecular weight of 904.21 g/mol. Its IUPAC name is 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine.

Molecular Properties

Compound Name2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine
PubChem CID176592380
Molecular FormulaC67H57N3
Molecular Weight904.21 g/mol
Exact Mass903.46
IUPAC Name2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine
SMILESCc1ccnc(C2(c3cccc(C4(c5cccc(C6(N7C=CN(C)C7)c7cc(C)ccc7-c7ccc(C)cc76)c5)c5cc(C)ccc5-c5ccc(C)cc54)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C67H57N3/c1-41-15-21-52-53-22-16-42(2)32-59(53)65(58(52)31-41,49-12-10-14-51(39-49)67(70-30-29-69(8)40-70)62-35-45(5)19-25-56(62)57-26-20-46(6)36-63(57)67)48-11-9-13-50(38-48)66(64-37-47(7)27-28-68-64)60-33-43(3)17-23-54(60)55-24-18-44(4)34-61(55)66/h9-39H,40H2,1-8H3
InChIKeyYGRRFVJPQYNNGK-UHFFFAOYSA-N
XLogP14.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.21
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine with MolForge

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Related Compounds

2-[9-[3-[9-[3-[3,6-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-3,6-dimethylfluoren-9-yl]phenyl]-3,6-dimethylfluoren-9-yl]pyridine
CID 176592388
4-tert-butyl-2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]pyridine
CID 155614329
2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 176592362
5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine
CID 155614327
8-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-8-[3-[8-[3-[8-(4-methyl-2-pyridinyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155614344
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
CID 123298937
2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)
CID 91122705
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine
CID 155113849
2-[9-[3-[4-(3-methyl-2H-imidazol-1-yl)thiophen-2-yl]oxyphenyl]fluoren-9-yl]pyridine
CID 159415024
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine?
The IUPAC name of 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine (CID 176592380) is 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine.
What is the SMILES notation for 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine?
The canonical SMILES for 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine is Cc1ccnc(C2(c3cccc(C4(c5cccc(C6(N7C=CN(C)C7)c7cc(C)ccc7-c7ccc(C)cc76)c5)c5cc(C)ccc5-c5ccc(C)cc54)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.
What is the InChIKey of 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine?
The InChIKey is YGRRFVJPQYNNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57N3/c1-41-15-21-52-53-22-16-42(2)32-59(53)65(58(52)31-41,49-12-10-14-51(39-49)67(70-30-29-69(8)40-70)62-35-45(5)19-25-56(62)57-26-20-46(6)36-63(57)67)48-11-9-13-50(38-48)66(64-37-47(7)27-28-68-64)60-33-43(3)17-23-54(60)55-24-18-44(4)34-61(55)66/h9-39H,40H2,1-8H3.
What are the key properties of 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine?
2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine has a molecular weight of 904.21 g/mol, XLogP of 14.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine is sourced from PubChem (CID 176592380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).