20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene

C60H34N4OS — CID 134224864

IUPAC20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4c4cc5c(cc43)oc3c4ccccc4ccc53)nc3c2sc2ccccc23)cc1
InChIInChI=1S/C60H34N4OS/c1-3-15-37(16-4-1)56-59-57(44-21-11-12-22-54(44)66-59)62-60(61-56)64-49-28-25-38(31-45(49)46-33-47-43-27-23-36-14-8-10-20-42(36)58(43)65-53(47)34-52(46)64)39-26-29-50-48(32-39)55-41-19-9-7-13-35(41)24-30-51(55)63(50)40-17-5-2-6-18-40/h1-34H
InChIKeyFBVJPDQEKFIRPM-UHFFFAOYSA-N
MW859.03 g/mol
LogP16.58
Rot. Bonds4

About 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene

20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene (PubChem CID 134224864) has the molecular formula C60H34N4OS and a molecular weight of 859.03 g/mol. Its IUPAC name is 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene.

Molecular Properties

Compound Name20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene
PubChem CID134224864
Molecular FormulaC60H34N4OS
Molecular Weight859.03 g/mol
Exact Mass858.25
IUPAC Name20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4c4cc5c(cc43)oc3c4ccccc4ccc53)nc3c2sc2ccccc23)cc1
InChIInChI=1S/C60H34N4OS/c1-3-15-37(16-4-1)56-59-57(44-21-11-12-22-54(44)66-59)62-60(61-56)64-49-28-25-38(31-45(49)46-33-47-43-27-23-36-14-8-10-20-42(36)58(43)65-53(47)34-52(46)64)39-26-29-50-48(32-39)55-41-19-9-7-13-35(41)24-30-51(55)63(50)40-17-5-2-6-18-40/h1-34H
InChIKeyFBVJPDQEKFIRPM-UHFFFAOYSA-N
XLogP16.58
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.03
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene?
The IUPAC name of 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene (CID 134224864) is 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene.
What is the SMILES notation for 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene?
The canonical SMILES for 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene is c1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4c4cc5c(cc43)oc3c4ccccc4ccc53)nc3c2sc2ccccc23)cc1.
What is the InChIKey of 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene?
The InChIKey is FBVJPDQEKFIRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N4OS/c1-3-15-37(16-4-1)56-59-57(44-21-11-12-22-54(44)66-59)62-60(61-56)64-49-28-25-38(31-45(49)46-33-47-43-27-23-36-14-8-10-20-42(36)58(43)65-53(47)34-52(46)64)39-26-29-50-48(32-39)55-41-19-9-7-13-35(41)24-30-51(55)63(50)40-17-5-2-6-18-40/h1-34H.
What are the key properties of 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene?
20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene has a molecular weight of 859.03 g/mol, XLogP of 16.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene is sourced from PubChem (CID 134224864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).