16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one

C92H56N2O4 — CID 146620727

IUPAC16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5c6ccc(-c7ccc(-c8cc9c%10ccccc%10c(=O)n%10c%11ccc(-c%12cccc%13c%12oc%12ccccc%12%13)cc%11c(c8)c9%10)c8oc9ccccc9c78)cc6c(=O)n4c53)cc21
InChIInChI=1S/C92H56N2O4/c1-91(2)76-24-11-7-17-61(76)63-34-28-50(47-78(63)91)49-31-38-80-69(40-49)73-44-54(51-29-35-64-62-18-8-12-25-77(62)92(3,4)79(64)48-51)43-71-60-33-30-52(42-75(60)90(96)94(80)85(71)73)56-36-37-58(88-84(56)68-21-10-14-27-83(68)98-88)55-45-72-59-16-5-6-20-67(59)89(95)93-81-39-32-53(41-70(81)74(46-55)86(72)93)57-22-15-23-66-65-19-9-13-26-82(65)97-87(57)66/h5-48H,1-4H3
InChIKeyABDMEUULFNCRDJ-UHFFFAOYSA-N
MW1253.47 g/mol
LogP23.45
Rot. Bonds5

About 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one

16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one (PubChem CID 146620727) has the molecular formula C92H56N2O4 and a molecular weight of 1253.47 g/mol. Its IUPAC name is 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one.

Molecular Properties

Compound Name16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
PubChem CID146620727
Molecular FormulaC92H56N2O4
Molecular Weight1253.47 g/mol
Exact Mass1252.42
IUPAC Name16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5c6ccc(-c7ccc(-c8cc9c%10ccccc%10c(=O)n%10c%11ccc(-c%12cccc%13c%12oc%12ccccc%12%13)cc%11c(c8)c9%10)c8oc9ccccc9c78)cc6c(=O)n4c53)cc21
InChIInChI=1S/C92H56N2O4/c1-91(2)76-24-11-7-17-61(76)63-34-28-50(47-78(63)91)49-31-38-80-69(40-49)73-44-54(51-29-35-64-62-18-8-12-25-77(62)92(3,4)79(64)48-51)43-71-60-33-30-52(42-75(60)90(96)94(80)85(71)73)56-36-37-58(88-84(56)68-21-10-14-27-83(68)98-88)55-45-72-59-16-5-6-20-67(59)89(95)93-81-39-32-53(41-70(81)74(46-55)86(72)93)57-22-15-23-66-65-19-9-13-26-82(65)97-87(57)66/h5-48H,1-4H3
InChIKeyABDMEUULFNCRDJ-UHFFFAOYSA-N
XLogP23.45
TPSA69.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001253.47
LogP ≤ 523.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one?
The IUPAC name of 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one (CID 146620727) is 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one.
What is the SMILES notation for 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one?
The canonical SMILES for 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5c6ccc(-c7ccc(-c8cc9c%10ccccc%10c(=O)n%10c%11ccc(-c%12cccc%13c%12oc%12ccccc%12%13)cc%11c(c8)c9%10)c8oc9ccccc9c78)cc6c(=O)n4c53)cc21.
What is the InChIKey of 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one?
The InChIKey is ABDMEUULFNCRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H56N2O4/c1-91(2)76-24-11-7-17-61(76)63-34-28-50(47-78(63)91)49-31-38-80-69(40-49)73-44-54(51-29-35-64-62-18-8-12-25-77(62)92(3,4)79(64)48-51)43-71-60-33-30-52(42-75(60)90(96)94(80)85(71)73)56-36-37-58(88-84(56)68-21-10-14-27-83(68)98-88)55-45-72-59-16-5-6-20-67(59)89(95)93-81-39-32-53(41-70(81)74(46-55)86(72)93)57-22-15-23-66-65-19-9-13-26-82(65)97-87(57)66/h5-48H,1-4H3.
What are the key properties of 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one?
16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one has a molecular weight of 1253.47 g/mol, XLogP of 23.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one is sourced from PubChem (CID 146620727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).