5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene

C57H54N2 — CID 164717297

IUPAC5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene
SMILESCC(C)(C)c1ccc(C2=C3CCCc4ccccc4C3=NC2=C(c2[nH]c3c(c2-c2ccc(C(C)(C)C)cc2)CCCc2ccccc2-3)c2cccc3ccccc23)cc1
InChIInChI=1S/C57H54N2/c1-56(2,3)41-32-28-39(29-33-41)49-47-26-14-20-37-17-8-11-23-44(37)52(47)58-54(49)51(46-25-13-19-36-16-7-10-22-43(36)46)55-50(40-30-34-42(35-31-40)57(4,5)6)48-27-15-21-38-18-9-12-24-45(38)53(48)59-55/h7-13,16-19,22-25,28-35,58H,14-15,20-21,26-27H2,1-6H3
InChIKeyMWFWPFWWVOYVIL-UHFFFAOYSA-N
MW767.07 g/mol
LogP14.64
Rot. Bonds4

About 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene

5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene (PubChem CID 164717297) has the molecular formula C57H54N2 and a molecular weight of 767.07 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene
PubChem CID164717297
Molecular FormulaC57H54N2
Molecular Weight767.07 g/mol
Exact Mass766.43
IUPAC Name5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene
SMILESCC(C)(C)c1ccc(C2=C3CCCc4ccccc4C3=NC2=C(c2[nH]c3c(c2-c2ccc(C(C)(C)C)cc2)CCCc2ccccc2-3)c2cccc3ccccc23)cc1
InChIInChI=1S/C57H54N2/c1-56(2,3)41-32-28-39(29-33-41)49-47-26-14-20-37-17-8-11-23-44(37)52(47)58-54(49)51(46-25-13-19-36-16-7-10-22-43(36)46)55-50(40-30-34-42(35-31-40)57(4,5)6)48-27-15-21-38-18-9-12-24-45(38)53(48)59-55/h7-13,16-19,22-25,28-35,58H,14-15,20-21,26-27H2,1-6H3
InChIKeyMWFWPFWWVOYVIL-UHFFFAOYSA-N
XLogP14.64
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.07
LogP ≤ 514.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene with MolForge

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Related Compounds

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3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene
CID 157126907
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154515
2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315433
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 59295530
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
7-(4-tert-butylphenyl)-2,3-dihydro-1H-inden-1-ol
CID 140664493

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene?
The IUPAC name of 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene (CID 164717297) is 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene.
What is the SMILES notation for 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene?
The canonical SMILES for 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene is CC(C)(C)c1ccc(C2=C3CCCc4ccccc4C3=NC2=C(c2[nH]c3c(c2-c2ccc(C(C)(C)C)cc2)CCCc2ccccc2-3)c2cccc3ccccc23)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene?
The InChIKey is MWFWPFWWVOYVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H54N2/c1-56(2,3)41-32-28-39(29-33-41)49-47-26-14-20-37-17-8-11-23-44(37)52(47)58-54(49)51(46-25-13-19-36-16-7-10-22-43(36)46)55-50(40-30-34-42(35-31-40)57(4,5)6)48-27-15-21-38-18-9-12-24-45(38)53(48)59-55/h7-13,16-19,22-25,28-35,58H,14-15,20-21,26-27H2,1-6H3.
What are the key properties of 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene?
5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene has a molecular weight of 767.07 g/mol, XLogP of 14.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene is sourced from PubChem (CID 164717297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).