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

C66H53N3 — CID 155614368

IUPAC2-[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
SMILESCc1cccc2c1-c1c(C)cccc1C2(c1cccc(C2(c3ccccn3)c3cccc(C)c3-c3c(C)cccc32)c1)c1cccc(C2(n3[c-][n+](C)cc3)c3cccc(C)c3-c3c(C)cccc32)c1
InChIInChI=1S/C66H53N3/c1-41-18-10-28-51-58(41)59-42(2)19-11-29-52(59)64(51,47-24-16-26-49(38-47)65(57-34-8-9-35-67-57)53-30-12-20-43(3)60(53)61-44(4)21-13-31-54(61)65)48-25-17-27-50(39-48)66(69-37-36-68(7)40-69)55-32-14-22-45(5)62(55)63-46(6)23-15-33-56(63)66/h8-39H,1-7H3
InChIKeyWFDMYYAJIWBLQN-UHFFFAOYSA-N
MW888.17 g/mol
LogP13.91
Rot. Bonds6

About 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

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 (PubChem CID 155614368) has the molecular formula C66H53N3 and a molecular weight of 888.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID155614368
Molecular FormulaC66H53N3
Molecular Weight888.17 g/mol
Exact Mass887.42
IUPAC Name2-[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
SMILESCc1cccc2c1-c1c(C)cccc1C2(c1cccc(C2(c3ccccn3)c3cccc(C)c3-c3c(C)cccc32)c1)c1cccc(C2(n3[c-][n+](C)cc3)c3cccc(C)c3-c3c(C)cccc32)c1
InChIInChI=1S/C66H53N3/c1-41-18-10-28-51-58(41)59-42(2)19-11-29-52(59)64(51,47-24-16-26-49(38-47)65(57-34-8-9-35-67-57)53-30-12-20-43(3)60(53)61-44(4)21-13-31-54(61)65)48-25-17-27-50(39-48)66(69-37-36-68(7)40-69)55-32-14-22-45(5)62(55)63-46(6)23-15-33-56(63)66/h8-39H,1-7H3
InChIKeyWFDMYYAJIWBLQN-UHFFFAOYSA-N
XLogP13.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.17
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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-(3,4,5-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-[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
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
9-(4-tert-butyl-2-pyridinyl)-9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum
CID 155614318
9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum
CID 155614355
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
2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 136997077

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c1-c1c(C)cccc1C2(c1cccc(C2(c3ccccn3)c3cccc(C)c3-c3c(C)cccc32)c1)c1cccc(C2(n3[c-][n+](C)cc3)c3cccc(C)c3-c3c(C)cccc32)c1.
What is the InChIKey of 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?
The InChIKey is WFDMYYAJIWBLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H53N3/c1-41-18-10-28-51-58(41)59-42(2)19-11-29-52(59)64(51,47-24-16-26-49(38-47)65(57-34-8-9-35-67-57)53-30-12-20-43(3)60(53)61-44(4)21-13-31-54(61)65)48-25-17-27-50(39-48)66(69-37-36-68(7)40-69)55-32-14-22-45(5)62(55)63-46(6)23-15-33-56(63)66/h8-39H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 888.17 g/mol, XLogP of 13.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155614368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).