17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene

C60H40N2O — CID 89416939

IUPAC17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene
SMILESCOc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3c3ccc4c(c5ccccc5n4-c4ccccc4)c23)cc1
InChIInChI=1S/C60H40N2O/c1-37-21-23-38(24-22-37)51-35-40-33-50-41(34-49(40)45-29-31-55-59(57(45)51)47-17-9-11-19-53(47)61(55)42-13-5-3-6-14-42)36-52(39-25-27-44(63-2)28-26-39)58-46(50)30-32-56-60(58)48-18-10-12-20-54(48)62(56)43-15-7-4-8-16-43/h3-36H,1-2H3
InChIKeyVITNMWOLTSYYRP-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.14
Rot. Bonds5

About 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene

17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene (PubChem CID 89416939) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene.

Molecular Properties

Compound Name17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene
PubChem CID89416939
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC Name17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene
SMILESCOc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3c3ccc4c(c5ccccc5n4-c4ccccc4)c23)cc1
InChIInChI=1S/C60H40N2O/c1-37-21-23-38(24-22-37)51-35-40-33-50-41(34-49(40)45-29-31-55-59(57(45)51)47-17-9-11-19-53(47)61(55)42-13-5-3-6-14-42)36-52(39-25-27-44(63-2)28-26-39)58-46(50)30-32-56-60(58)48-18-10-12-20-54(48)62(56)43-15-7-4-8-16-43/h3-36H,1-2H3
InChIKeyVITNMWOLTSYYRP-UHFFFAOYSA-N
XLogP16.14
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene with MolForge

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Related Compounds

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CID 90310220
5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole
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9-[3-[4-(4-methylphenyl)phenyl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170201902
9-(4-methylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501127
9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole
CID 159778762
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140955524
4-(4-methoxyphenyl)-1-phenylquinolin-2-one
CID 166443023
10-phenyl-20-(9-phenylcarbazol-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310187
9-[4-(4-methoxyphenyl)phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene?
The IUPAC name of 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene (CID 89416939) is 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene.
What is the SMILES notation for 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene?
The canonical SMILES for 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene is COc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3c3ccc4c(c5ccccc5n4-c4ccccc4)c23)cc1.
What is the InChIKey of 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene?
The InChIKey is VITNMWOLTSYYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-37-21-23-38(24-22-37)51-35-40-33-50-41(34-49(40)45-29-31-55-59(57(45)51)47-17-9-11-19-53(47)61(55)42-13-5-3-6-14-42)36-52(39-25-27-44(63-2)28-26-39)58-46(50)30-32-56-60(58)48-18-10-12-20-54(48)62(56)43-15-7-4-8-16-43/h3-36H,1-2H3.
What are the key properties of 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene?
17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene has a molecular weight of 804.99 g/mol, XLogP of 16.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene is sourced from PubChem (CID 89416939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).