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

C66H55N3 — CID 176592388

IUPAC2-[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
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2(c1cccc(C2(c3ccccn3)c3ccc(C)cc3-c3cc(C)ccc32)c1)c1cccc(C2(N3C=CN(C)C3)c3ccc(C)cc3-c3cc(C)ccc32)c1
InChIInChI=1S/C66H55N3/c1-41-17-23-57-51(32-41)52-33-42(2)18-24-58(52)64(57,47-12-10-14-49(38-47)65(63-16-8-9-29-67-63)59-25-19-43(3)34-53(59)54-35-44(4)20-26-60(54)65)48-13-11-15-50(39-48)66(69-31-30-68(7)40-69)61-27-21-45(5)36-55(61)56-37-46(6)22-28-62(56)66/h8-39H,40H2,1-7H3
InChIKeyHLMFCGQORHROPZ-UHFFFAOYSA-N
MW890.19 g/mol
LogP14.61
Rot. Bonds6

About 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

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 (PubChem CID 176592388) has the molecular formula C66H55N3 and a molecular weight of 890.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID176592388
Molecular FormulaC66H55N3
Molecular Weight890.19 g/mol
Exact Mass889.44
IUPAC Name2-[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
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2(c1cccc(C2(c3ccccn3)c3ccc(C)cc3-c3cc(C)ccc32)c1)c1cccc(C2(N3C=CN(C)C3)c3ccc(C)cc3-c3cc(C)ccc32)c1
InChIInChI=1S/C66H55N3/c1-41-17-23-57-51(32-41)52-33-42(2)18-24-58(52)64(57,47-12-10-14-49(38-47)65(63-16-8-9-29-67-63)59-25-19-43(3)34-53(59)54-35-44(4)20-26-60(54)65)48-13-11-15-50(39-48)66(69-31-30-68(7)40-69)61-27-21-45(5)36-55(61)56-37-46(6)22-28-62(56)66/h8-39H,40H2,1-7H3
InChIKeyHLMFCGQORHROPZ-UHFFFAOYSA-N
XLogP14.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.19
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 155614289
2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 155614399
2-[9-[3-[9-[3-[3,6-dimethyl-9-(3-methyl-2H-imidazol-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]-3,6-dimethylfluoren-9-yl]benzene-2-id-1-yl]-3,6-dimethylfluoren-9-yl]pyridine;platinum
CID 176592387
2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 155614441
2-[9-[3-[4-(3-methyl-2H-imidazol-1-yl)thiophen-2-yl]oxyphenyl]fluoren-9-yl]pyridine
CID 159415024
2-[9-[3-[9-[3-[3,6-dimethyl-9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]-3,6-dimethylfluoren-9-yl]benzene-2-id-1-yl]-3,6-dimethylfluoren-9-yl]pyridine;platinum
CID 155614281
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
2-[9-[3-[9-[3-[4,5-dimethyl-9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]-4,5-dimethylfluoren-9-yl]phenyl]-4,5-dimethylfluoren-9-yl]pyridine
CID 155614368
1-[3-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3-methyl-2H-benzimidazole
CID 140715964
8-[4-tert-butyl-6-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]-2-pyridinyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155614472

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)-c1cc(C)ccc1C2(c1cccc(C2(c3ccccn3)c3ccc(C)cc3-c3cc(C)ccc32)c1)c1cccc(C2(N3C=CN(C)C3)c3ccc(C)cc3-c3cc(C)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is HLMFCGQORHROPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55N3/c1-41-17-23-57-51(32-41)52-33-42(2)18-24-58(52)64(57,47-12-10-14-49(38-47)65(63-16-8-9-29-67-63)59-25-19-43(3)34-53(59)54-35-44(4)20-26-60(54)65)48-13-11-15-50(39-48)66(69-31-30-68(7)40-69)61-27-21-45(5)36-55(61)56-37-46(6)22-28-62(56)66/h8-39H,40H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 890.19 g/mol, XLogP of 14.61, 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-[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 is sourced from PubChem (CID 176592388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).