10-[4-(3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylcarbazol-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

C60H34N2OS — CID 121323836

IUPAC10-[4-(3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylcarbazol-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(-c5cccc6c5sc5ccccc56)ccc3n4-c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)cccc12
InChIInChI=1S/C60H34N2OS/c1-5-19-52-42(11-1)50-33-38(34-51-43-12-2-6-20-53(43)62(52)58(50)51)35-23-27-39(28-24-35)61-54-29-25-36(40-15-9-17-46-44-13-3-7-21-56(44)63-59(40)46)31-48(54)49-32-37(26-30-55(49)61)41-16-10-18-47-45-14-4-8-22-57(45)64-60(41)47/h1-34H
InChIKeyGPYUUIVXKMSNPT-UHFFFAOYSA-N
MW831.01 g/mol
LogP17.20
Rot. Bonds4

About 10-[4-(3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylcarbazol-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-ylcarbazol-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 121323836) has the molecular formula C60H34N2OS and a molecular weight of 831.01 g/mol. Its IUPAC name is 10-[4-(3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylcarbazol-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-ylcarbazol-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 CID121323836
Molecular FormulaC60H34N2OS
Molecular Weight831.01 g/mol
Exact Mass830.24
IUPAC Name10-[4-(3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylcarbazol-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(-c5cccc6c5sc5ccccc56)ccc3n4-c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)cccc12
InChIInChI=1S/C60H34N2OS/c1-5-19-52-42(11-1)50-33-38(34-51-43-12-2-6-20-53(43)62(52)58(50)51)35-23-27-39(28-24-35)61-54-29-25-36(40-15-9-17-46-44-13-3-7-21-56(44)63-59(40)46)31-48(54)49-32-37(26-30-55(49)61)41-16-10-18-47-45-14-4-8-22-57(45)64-60(41)47/h1-34H
InChIKeyGPYUUIVXKMSNPT-UHFFFAOYSA-N
XLogP17.20
TPSA22.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.01
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-(3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylcarbazol-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-ylcarbazol-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-ylcarbazol-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 121323836) is 10-[4-(3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylcarbazol-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-ylcarbazol-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-ylcarbazol-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(-c5cccc6c5sc5ccccc56)ccc3n4-c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)cccc12.
What is the InChIKey of 10-[4-(3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylcarbazol-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 GPYUUIVXKMSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2OS/c1-5-19-52-42(11-1)50-33-38(34-51-43-12-2-6-20-53(43)62(52)58(50)51)35-23-27-39(28-24-35)61-54-29-25-36(40-15-9-17-46-44-13-3-7-21-56(44)63-59(40)46)31-48(54)49-32-37(26-30-55(49)61)41-16-10-18-47-45-14-4-8-22-57(45)64-60(41)47/h1-34H.
What are the key properties of 10-[4-(3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylcarbazol-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-ylcarbazol-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 831.01 g/mol, XLogP of 17.20, 4 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-ylcarbazol-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 121323836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).