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

C70H61N3 — CID 155614329

IUPAC4-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
SMILESCc1ccc2c(c1)C(c1cccc(C3(c4cc(C(C)(C)C)ccn4)c4cc(C)ccc4-c4ccc(C)cc43)c1)(c1cccc(C3(n4[c-][n+](C)cc4)c4cc(C)ccc4-c4ccc(C)cc43)c1)c1cc(C)ccc1-2
InChIInChI=1S/C70H61N3/c1-43-17-23-54-55-24-18-44(2)34-61(55)68(60(54)33-43,51-14-12-16-53(40-51)70(73-32-31-72(10)42-73)64-37-47(5)21-27-58(64)59-28-22-48(6)38-65(59)70)50-13-11-15-52(39-50)69(66-41-49(29-30-71-66)67(7,8)9)62-35-45(3)19-25-56(62)57-26-20-46(4)36-63(57)69/h11-41H,1-10H3
InChIKeyTWMRFDIHNOJKSD-UHFFFAOYSA-N
MW944.28 g/mol
LogP15.20
Rot. Bonds6

About 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

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 (PubChem CID 155614329) has the molecular formula C70H61N3 and a molecular weight of 944.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID155614329
Molecular FormulaC70H61N3
Molecular Weight944.28 g/mol
Exact Mass943.49
IUPAC Name4-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
SMILESCc1ccc2c(c1)C(c1cccc(C3(c4cc(C(C)(C)C)ccn4)c4cc(C)ccc4-c4ccc(C)cc43)c1)(c1cccc(C3(n4[c-][n+](C)cc4)c4cc(C)ccc4-c4ccc(C)cc43)c1)c1cc(C)ccc1-2
InChIInChI=1S/C70H61N3/c1-43-17-23-54-55-24-18-44(2)34-61(55)68(60(54)33-43,51-14-12-16-53(40-51)70(73-32-31-72(10)42-73)64-37-47(5)21-27-58(64)59-28-22-48(6)38-65(59)70)50-13-11-15-52(39-50)69(66-41-49(29-30-71-66)67(7,8)9)62-35-45(3)19-25-56(62)57-26-20-46(4)36-63(57)69/h11-41H,1-10H3
InChIKeyTWMRFDIHNOJKSD-UHFFFAOYSA-N
XLogP15.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.28
LogP ≤ 515.20
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 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 with MolForge

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Related Compounds

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-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-[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
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
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-[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-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-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
CID 155614392
4-tert-butyl-2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
CID 155614394
2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine
CID 140560446
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)C(c1cccc(C3(c4cc(C(C)(C)C)ccn4)c4cc(C)ccc4-c4ccc(C)cc43)c1)(c1cccc(C3(n4[c-][n+](C)cc4)c4cc(C)ccc4-c4ccc(C)cc43)c1)c1cc(C)ccc1-2.
What is the InChIKey of 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?
The InChIKey is TWMRFDIHNOJKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H61N3/c1-43-17-23-54-55-24-18-44(2)34-61(55)68(60(54)33-43,51-14-12-16-53(40-51)70(73-32-31-72(10)42-73)64-37-47(5)21-27-58(64)59-28-22-48(6)38-65(59)70)50-13-11-15-52(39-50)69(66-41-49(29-30-71-66)67(7,8)9)62-35-45(3)19-25-56(62)57-26-20-46(4)36-63(57)69/h11-41H,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 944.28 g/mol, XLogP of 15.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155614329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).