1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine

C72H82N2 — CID 118952284

IUPAC1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine
SMILESCc1cc(C)c(N2C=CC(=C3C=CN(c4c(C)cc(C)cc4-c4cc(C(C)(C)C)cc5c4-c4ccc(C(C)(C)C)cc4C5(C)C)C=C3)C=C2)c(-c2cc(C(C)(C)C)cc3c2-c2ccc(C(C)(C)C)cc2C3(C)C)c1
InChIInChI=1S/C72H82N2/c1-43-33-45(3)65(57(35-43)55-37-51(69(11,12)13)41-61-63(55)53-23-21-49(67(5,6)7)39-59(53)71(61,17)18)73-29-25-47(26-30-73)48-27-31-74(32-28-48)66-46(4)34-44(2)36-58(66)56-38-52(70(14,15)16)42-62-64(56)54-24-22-50(68(8,9)10)40-60(54)72(62,19)20/h21-42H,1-20H3
InChIKeyACMOGVJTYKZTOK-UHFFFAOYSA-N
MW975.46 g/mol
LogP19.75
Rot. Bonds4

About 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine

1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine (PubChem CID 118952284) has the molecular formula C72H82N2 and a molecular weight of 975.46 g/mol. Its IUPAC name is 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine.

Molecular Properties

Compound Name1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine
PubChem CID118952284
Molecular FormulaC72H82N2
Molecular Weight975.46 g/mol
Exact Mass974.65
IUPAC Name1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine
SMILESCc1cc(C)c(N2C=CC(=C3C=CN(c4c(C)cc(C)cc4-c4cc(C(C)(C)C)cc5c4-c4ccc(C(C)(C)C)cc4C5(C)C)C=C3)C=C2)c(-c2cc(C(C)(C)C)cc3c2-c2ccc(C(C)(C)C)cc2C3(C)C)c1
InChIInChI=1S/C72H82N2/c1-43-33-45(3)65(57(35-43)55-37-51(69(11,12)13)41-61-63(55)53-23-21-49(67(5,6)7)39-59(53)71(61,17)18)73-29-25-47(26-30-73)48-27-31-74(32-28-48)66-46(4)34-44(2)36-58(66)56-38-52(70(14,15)16)42-62-64(56)54-24-22-50(68(8,9)10)40-60(54)72(62,19)20/h21-42H,1-20H3
InChIKeyACMOGVJTYKZTOK-UHFFFAOYSA-N
XLogP19.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.46
LogP ≤ 519.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine?
The IUPAC name of 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine (CID 118952284) is 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine.
What is the SMILES notation for 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine?
The canonical SMILES for 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine is Cc1cc(C)c(N2C=CC(=C3C=CN(c4c(C)cc(C)cc4-c4cc(C(C)(C)C)cc5c4-c4ccc(C(C)(C)C)cc4C5(C)C)C=C3)C=C2)c(-c2cc(C(C)(C)C)cc3c2-c2ccc(C(C)(C)C)cc2C3(C)C)c1.
What is the InChIKey of 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine?
The InChIKey is ACMOGVJTYKZTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H82N2/c1-43-33-45(3)65(57(35-43)55-37-51(69(11,12)13)41-61-63(55)53-23-21-49(67(5,6)7)39-59(53)71(61,17)18)73-29-25-47(26-30-73)48-27-31-74(32-28-48)66-46(4)34-44(2)36-58(66)56-38-52(70(14,15)16)42-62-64(56)54-24-22-50(68(8,9)10)40-60(54)72(62,19)20/h21-42H,1-20H3.
What are the key properties of 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine?
1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine has a molecular weight of 975.46 g/mol, XLogP of 19.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-[1-[2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-4,6-dimethylphenyl]-4-pyridinylidene]pyridine is sourced from PubChem (CID 118952284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).