10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C61H36N2OS — CID 139457344

IUPAC10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)c3cc(Cc5cccc6c5sc5ccccc56)ccc3n4-c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)cccc12
InChIInChI=1S/C61H36N2OS/c1-5-19-53-43(12-1)51-34-40(35-52-44-13-2-6-20-54(44)63(53)59(51)52)37-24-27-41(28-25-37)62-55-29-23-36(31-39-11-9-18-48-46-15-4-8-22-58(46)65-61(39)48)32-49(55)50-33-38(26-30-56(50)62)42-16-10-17-47-45-14-3-7-21-57(45)64-60(42)47/h1-30,32-35H,31H2
InChIKeyPJCFOJPZXHWYQB-UHFFFAOYSA-N
MW845.04 g/mol
LogP17.13
Rot. Bonds5

About 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 139457344) has the molecular formula C61H36N2OS and a molecular weight of 845.04 g/mol. Its IUPAC name is 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID139457344
Molecular FormulaC61H36N2OS
Molecular Weight845.04 g/mol
Exact Mass844.25
IUPAC Name10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)c3cc(Cc5cccc6c5sc5ccccc56)ccc3n4-c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)cccc12
InChIInChI=1S/C61H36N2OS/c1-5-19-53-43(12-1)51-34-40(35-52-44-13-2-6-20-54(44)63(53)59(51)52)37-24-27-41(28-25-37)62-55-29-23-36(31-39-11-9-18-48-46-15-4-8-22-58(46)65-61(39)48)32-49(55)50-33-38(26-30-56(50)62)42-16-10-17-47-45-14-3-7-21-57(45)64-60(42)47/h1-30,32-35H,31H2
InChIKeyPJCFOJPZXHWYQB-UHFFFAOYSA-N
XLogP17.13
TPSA22.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.04
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 139457344) is 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3cc(Cc5cccc6c5sc5ccccc56)ccc3n4-c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)cccc12.
What is the InChIKey of 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is PJCFOJPZXHWYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2OS/c1-5-19-53-43(12-1)51-34-40(35-52-44-13-2-6-20-54(44)63(53)59(51)52)37-24-27-41(28-25-37)62-55-29-23-36(31-39-11-9-18-48-46-15-4-8-22-58(46)65-61(39)48)32-49(55)50-33-38(26-30-56(50)62)42-16-10-17-47-45-14-3-7-21-57(45)64-60(42)47/h1-30,32-35H,31H2.
What are the key properties of 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 845.04 g/mol, XLogP of 17.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-dibenzofuran-4-yl-6-(dibenzothiophen-4-ylmethyl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 139457344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).