14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C50H39N — CID 59904815

IUPAC14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESC(=C1c2ccccc2-c2ccc(C3CCCCC3)cc2-c2ccccc21)c1ccc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H39N/c1-2-14-35(15-3-1)36-28-31-44-38-16-4-7-19-41(38)47(42-20-8-9-21-43(42)48(44)33-36)32-34-26-29-37(30-27-34)51-49-24-12-10-22-45(49)39-17-5-6-18-40(39)46-23-11-13-25-50(46)51/h4-13,16-33,35H,1-3,14-15H2
InChIKeyKJROFBWLCQVVEZ-UHFFFAOYSA-N
MW653.87 g/mol
LogP14.09
Rot. Bonds3

About 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 59904815) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID59904815
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC Name14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESC(=C1c2ccccc2-c2ccc(C3CCCCC3)cc2-c2ccccc21)c1ccc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H39N/c1-2-14-35(15-3-1)36-28-31-44-38-16-4-7-19-41(38)47(42-20-8-9-21-43(42)48(44)33-36)32-34-26-29-37(30-27-34)51-49-24-12-10-22-45(49)39-17-5-6-18-40(39)46-23-11-13-25-50(46)51/h4-13,16-33,35H,1-3,14-15H2
InChIKeyKJROFBWLCQVVEZ-UHFFFAOYSA-N
XLogP14.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 59904815) is 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is C(=C1c2ccccc2-c2ccc(C3CCCCC3)cc2-c2ccccc21)c1ccc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is KJROFBWLCQVVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-2-14-35(15-3-1)36-28-31-44-38-16-4-7-19-41(38)47(42-20-8-9-21-43(42)48(44)33-36)32-34-26-29-37(30-27-34)51-49-24-12-10-22-45(49)39-17-5-6-18-40(39)46-23-11-13-25-50(46)51/h4-13,16-33,35H,1-3,14-15H2.
What are the key properties of 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 653.87 g/mol, XLogP of 14.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-[(4-cyclohexyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaenylidene)methyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 59904815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).