10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one

C102H57N5O3S — CID 138744022

IUPAC10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
SMILESCC1(C)c2ccccc2-c2ccc3c4c(-c5ccc6c(c5)c(=O)n5c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)cc6c75)cccc4n(-c4cc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7cccc9c%10ccccc%10c(=O)n8c97)cc6c(=O)n6c7ccccc7c(c4)c56)c3c21
InChIInChI=1S/C102H57N5O3S/c1-102(2)84-27-10-5-18-65(84)70-40-41-74-93-61(57-34-39-63-78-49-58(56-36-44-92-77(46-56)69-22-9-14-32-91(69)111-92)50-79-67-20-7-12-29-86(67)105(96(78)79)101(110)83(63)48-57)24-16-31-90(93)104(98(74)94(70)102)60-52-80-64-38-33-54(47-82(64)100(109)106-87-30-13-8-21-68(87)81(53-60)97(80)106)55-35-42-88-75(45-55)66-19-6-11-28-85(66)103(88)59-37-43-89-76(51-59)72-26-15-25-71-62-17-3-4-23-73(62)99(108)107(89)95(71)72/h3-53H,1-2H3
InChIKeyCMFZSTWJIDYWIR-UHFFFAOYSA-N
MW1432.68 g/mol
LogP25.09
Rot. Bonds5

About 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one

10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one (PubChem CID 138744022) has the molecular formula C102H57N5O3S and a molecular weight of 1432.68 g/mol. Its IUPAC name is 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one.

Molecular Properties

Compound Name10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
PubChem CID138744022
Molecular FormulaC102H57N5O3S
Molecular Weight1432.68 g/mol
Exact Mass1431.42
IUPAC Name10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
SMILESCC1(C)c2ccccc2-c2ccc3c4c(-c5ccc6c(c5)c(=O)n5c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)cc6c75)cccc4n(-c4cc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7cccc9c%10ccccc%10c(=O)n8c97)cc6c(=O)n6c7ccccc7c(c4)c56)c3c21
InChIInChI=1S/C102H57N5O3S/c1-102(2)84-27-10-5-18-65(84)70-40-41-74-93-61(57-34-39-63-78-49-58(56-36-44-92-77(46-56)69-22-9-14-32-91(69)111-92)50-79-67-20-7-12-29-86(67)105(96(78)79)101(110)83(63)48-57)24-16-31-90(93)104(98(74)94(70)102)60-52-80-64-38-33-54(47-82(64)100(109)106-87-30-13-8-21-68(87)81(53-60)97(80)106)55-35-42-88-75(45-55)66-19-6-11-28-85(66)103(88)59-37-43-89-76(51-59)72-26-15-25-71-62-17-3-4-23-73(62)99(108)107(89)95(71)72/h3-53H,1-2H3
InChIKeyCMFZSTWJIDYWIR-UHFFFAOYSA-N
XLogP25.09
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001432.68
LogP ≤ 525.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?
The IUPAC name of 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one (CID 138744022) is 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one.
What is the SMILES notation for 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?
The canonical SMILES for 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one is CC1(C)c2ccccc2-c2ccc3c4c(-c5ccc6c(c5)c(=O)n5c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)cc6c75)cccc4n(-c4cc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7cccc9c%10ccccc%10c(=O)n8c97)cc6c(=O)n6c7ccccc7c(c4)c56)c3c21.
What is the InChIKey of 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?
The InChIKey is CMFZSTWJIDYWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H57N5O3S/c1-102(2)84-27-10-5-18-65(84)70-40-41-74-93-61(57-34-39-63-78-49-58(56-36-44-92-77(46-56)69-22-9-14-32-91(69)111-92)50-79-67-20-7-12-29-86(67)105(96(78)79)101(110)83(63)48-57)24-16-31-90(93)104(98(74)94(70)102)60-52-80-64-38-33-54(47-82(64)100(109)106-87-30-13-8-21-68(87)81(53-60)97(80)106)55-35-42-88-75(45-55)66-19-6-11-28-85(66)103(88)59-37-43-89-76(51-59)72-26-15-25-71-62-17-3-4-23-73(62)99(108)107(89)95(71)72/h3-53H,1-2H3.
What are the key properties of 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?
10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one has a molecular weight of 1432.68 g/mol, XLogP of 25.09, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzothiophen-2-yl-16-[12,12-dimethyl-11-[19-oxo-16-[9-(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-5-yl)carbazol-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-10-yl]indeno[2,1-a]carbazol-7-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one is sourced from PubChem (CID 138744022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).