6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene

C58H34N4 — CID 58370911

IUPAC6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4nc(-c5ccc(-c6nc7ccc8c(-c9ccccc9)cc(-c9ccccc9)c9ccc(n6)c7c89)cc5)nc5ccc2c3c54)cc1
InChIInChI=1S/C58H34N4/c1-5-13-35(14-6-1)45-33-46(36-15-7-2-8-16-36)42-26-30-50-55-49(29-25-41(45)53(42)55)59-57(60-50)39-21-23-40(24-22-39)58-61-51-31-27-43-47(37-17-9-3-10-18-37)34-48(38-19-11-4-12-20-38)44-28-32-52(62-58)56(51)54(43)44/h1-34H
InChIKeyWLWCVXDRASJNSC-UHFFFAOYSA-N
MW786.94 g/mol
LogP15.06
Rot. Bonds6

About 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene

6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene (PubChem CID 58370911) has the molecular formula C58H34N4 and a molecular weight of 786.94 g/mol. Its IUPAC name is 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene.

Molecular Properties

Compound Name6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
PubChem CID58370911
Molecular FormulaC58H34N4
Molecular Weight786.94 g/mol
Exact Mass786.28
IUPAC Name6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4nc(-c5ccc(-c6nc7ccc8c(-c9ccccc9)cc(-c9ccccc9)c9ccc(n6)c7c89)cc5)nc5ccc2c3c54)cc1
InChIInChI=1S/C58H34N4/c1-5-13-35(14-6-1)45-33-46(36-15-7-2-8-16-36)42-26-30-50-55-49(29-25-41(45)53(42)55)59-57(60-50)39-21-23-40(24-22-39)58-61-51-31-27-43-47(37-17-9-3-10-18-37)34-48(38-19-11-4-12-20-38)44-28-32-52(62-58)56(51)54(43)44/h1-34H
InChIKeyWLWCVXDRASJNSC-UHFFFAOYSA-N
XLogP15.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.94
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The IUPAC name of 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene (CID 58370911) is 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene.
What is the SMILES notation for 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The canonical SMILES for 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene is c1ccc(-c2cc(-c3ccccc3)c3ccc4nc(-c5ccc(-c6nc7ccc8c(-c9ccccc9)cc(-c9ccccc9)c9ccc(n6)c7c89)cc5)nc5ccc2c3c54)cc1.
What is the InChIKey of 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
The InChIKey is WLWCVXDRASJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4/c1-5-13-35(14-6-1)45-33-46(36-15-7-2-8-16-36)42-26-30-50-55-49(29-25-41(45)53(42)55)59-57(60-50)39-21-23-40(24-22-39)58-61-51-31-27-43-47(37-17-9-3-10-18-37)34-48(38-19-11-4-12-20-38)44-28-32-52(62-58)56(51)54(43)44/h1-34H.
What are the key properties of 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene?
6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene has a molecular weight of 786.94 g/mol, XLogP of 15.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaen-6-yl)phenyl]-12,14-diphenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene is sourced from PubChem (CID 58370911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).