17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene

C58H42N2O2+2 — CID 163923331

IUPAC17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
SMILESC[N+]1(C)c2cc3c(cc2-c2c1cc(-c1ccccc1-c1ccccc1)c1oc4ccccc4c21)[N+](C)(C)c1cc(-c2ccccc2-c2ccccc2)c2oc4ccccc4c2c1-3
InChIInChI=1S/C58H42N2O2/c1-59(2)47-33-46-48(34-45(47)53-49(59)31-43(57-55(53)41-27-15-17-29-51(41)61-57)39-25-13-11-23-37(39)35-19-7-5-8-20-35)60(3,4)50-32-44(40-26-14-12-24-38(40)36-21-9-6-10-22-36)58-56(54(46)50)42-28-16-18-30-52(42)62-58/h5-34H,1-4H3/q+2
InChIKeyRQXUIFXFRCRZTL-UHFFFAOYSA-N
MW798.99 g/mol
LogP15.91
Rot. Bonds4

About 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene

17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene (PubChem CID 163923331) has the molecular formula C58H42N2O2+2 and a molecular weight of 798.99 g/mol. Its IUPAC name is 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene.

Molecular Properties

Compound Name17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
PubChem CID163923331
Molecular FormulaC58H42N2O2+2
Molecular Weight798.99 g/mol
Exact Mass798.32
IUPAC Name17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
SMILESC[N+]1(C)c2cc3c(cc2-c2c1cc(-c1ccccc1-c1ccccc1)c1oc4ccccc4c21)[N+](C)(C)c1cc(-c2ccccc2-c2ccccc2)c2oc4ccccc4c2c1-3
InChIInChI=1S/C58H42N2O2/c1-59(2)47-33-46-48(34-45(47)53-49(59)31-43(57-55(53)41-27-15-17-29-51(41)61-57)39-25-13-11-23-37(39)35-19-7-5-8-20-35)60(3,4)50-32-44(40-26-14-12-24-38(40)36-21-9-6-10-22-36)58-56(54(46)50)42-28-16-18-30-52(42)62-58/h5-34H,1-4H3/q+2
InChIKeyRQXUIFXFRCRZTL-UHFFFAOYSA-N
XLogP15.91
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?
The IUPAC name of 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene (CID 163923331) is 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene.
What is the SMILES notation for 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?
The canonical SMILES for 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene is C[N+]1(C)c2cc3c(cc2-c2c1cc(-c1ccccc1-c1ccccc1)c1oc4ccccc4c21)[N+](C)(C)c1cc(-c2ccccc2-c2ccccc2)c2oc4ccccc4c2c1-3.
What is the InChIKey of 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?
The InChIKey is RQXUIFXFRCRZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2O2/c1-59(2)47-33-46-48(34-45(47)53-49(59)31-43(57-55(53)41-27-15-17-29-51(41)61-57)39-25-13-11-23-37(39)35-19-7-5-8-20-35)60(3,4)50-32-44(40-26-14-12-24-38(40)36-21-9-6-10-22-36)58-56(54(46)50)42-28-16-18-30-52(42)62-58/h5-34H,1-4H3/q+2.
What are the key properties of 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?
17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene has a molecular weight of 798.99 g/mol, XLogP of 15.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17,34,34-tetramethyl-14,31-bis(2-phenylphenyl)-12,29-dioxa-17,34-diazonianonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 163923331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).