10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C168H101N7OS6 — CID 160765704

IUPAC10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1cc(-c2cc3c4c(c2)c2ccccc2n4-c2ccccc2S3)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2cc3c4c(c2)c2ccccc2n4-c2ccccc2S3)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc(-c3cc4c5c(c3)c3ccccc3n5-c3ccccc3S4)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4ccccc4S5)ccc32)cc1.c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n-2c13
InChIInChI=1S/C36H22N2S.C36H21NOS.C36H21NS2.C30H18N2S.C30H19NS/c1-2-10-25(11-3-1)37-30-14-6-4-12-26(30)28-20-23(18-19-32(28)37)24-21-29-27-13-5-7-15-31(27)38-33-16-8-9-17-34(33)39-35(22-24)36(29)38;1-3-15-30-26(11-1)29-20-24(21-34-35(29)37(30)31-16-4-6-18-33(31)39-34)22-9-7-10-23(19-22)25-13-8-14-28-27-12-2-5-17-32(27)38-36(25)28;1-3-15-30-26(11-1)29-20-24(21-34-35(29)37(30)31-16-4-6-18-33(31)38-34)22-9-7-10-23(19-22)25-13-8-14-28-27-12-2-5-17-32(27)39-36(25)28;1-4-12-24-20(9-1)21-10-2-5-13-25(21)31(24)19-17-23-22-11-3-6-14-26(22)32-27-15-7-8-16-28(27)33-29(18-19)30(23)32;1-2-9-20(10-3-1)21-11-8-12-22(17-21)23-18-25-24-13-4-5-14-26(24)31-27-15-6-7-16-28(27)32-29(19-23)30(25)31/h1-22H;2*1-21H;1-18H;1-19H
InChIKeyRYQUAVIFULLBOH-UHFFFAOYSA-N
MW2426.11 g/mol
LogP48.37
Rot. Bonds9

About 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 160765704) has the molecular formula C168H101N7OS6 and a molecular weight of 2426.11 g/mol. Its IUPAC name is 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID160765704
Molecular FormulaC168H101N7OS6
Molecular Weight2426.11 g/mol
Exact Mass2423.64
IUPAC Name10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1cc(-c2cc3c4c(c2)c2ccccc2n4-c2ccccc2S3)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2cc3c4c(c2)c2ccccc2n4-c2ccccc2S3)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc(-c3cc4c5c(c3)c3ccccc3n5-c3ccccc3S4)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4ccccc4S5)ccc32)cc1.c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n-2c13
InChIInChI=1S/C36H22N2S.C36H21NOS.C36H21NS2.C30H18N2S.C30H19NS/c1-2-10-25(11-3-1)37-30-14-6-4-12-26(30)28-20-23(18-19-32(28)37)24-21-29-27-13-5-7-15-31(27)38-33-16-8-9-17-34(33)39-35(22-24)36(29)38;1-3-15-30-26(11-1)29-20-24(21-34-35(29)37(30)31-16-4-6-18-33(31)39-34)22-9-7-10-23(19-22)25-13-8-14-28-27-12-2-5-17-32(27)38-36(25)28;1-3-15-30-26(11-1)29-20-24(21-34-35(29)37(30)31-16-4-6-18-33(31)38-34)22-9-7-10-23(19-22)25-13-8-14-28-27-12-2-5-17-32(27)39-36(25)28;1-4-12-24-20(9-1)21-10-2-5-13-25(21)31(24)19-17-23-22-11-3-6-14-26(22)32-27-15-7-8-16-28(27)33-29(18-19)30(23)32;1-2-9-20(10-3-1)21-11-8-12-22(17-21)23-18-25-24-13-4-5-14-26(24)31-27-15-6-7-16-28(27)32-29(19-23)30(25)31/h1-22H;2*1-21H;1-18H;1-19H
InChIKeyRYQUAVIFULLBOH-UHFFFAOYSA-N
XLogP48.37
TPSA47.65 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002426.11
LogP ≤ 548.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 160765704) is 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1cc(-c2cc3c4c(c2)c2ccccc2n4-c2ccccc2S3)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2cc3c4c(c2)c2ccccc2n4-c2ccccc2S3)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc(-c3cc4c5c(c3)c3ccccc3n5-c3ccccc3S4)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6c(c4)c4ccccc4n6-c4ccccc4S5)ccc32)cc1.c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n-2c13.
What is the InChIKey of 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is RYQUAVIFULLBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S.C36H21NOS.C36H21NS2.C30H18N2S.C30H19NS/c1-2-10-25(11-3-1)37-30-14-6-4-12-26(30)28-20-23(18-19-32(28)37)24-21-29-27-13-5-7-15-31(27)38-33-16-8-9-17-34(33)39-35(22-24)36(29)38;1-3-15-30-26(11-1)29-20-24(21-34-35(29)37(30)31-16-4-6-18-33(31)39-34)22-9-7-10-23(19-22)25-13-8-14-28-27-12-2-5-17-32(27)38-36(25)28;1-3-15-30-26(11-1)29-20-24(21-34-35(29)37(30)31-16-4-6-18-33(31)38-34)22-9-7-10-23(19-22)25-13-8-14-28-27-12-2-5-17-32(27)39-36(25)28;1-4-12-24-20(9-1)21-10-2-5-13-25(21)31(24)19-17-23-22-11-3-6-14-26(22)32-27-15-7-8-16-28(27)33-29(18-19)30(23)32;1-2-9-20(10-3-1)21-11-8-12-22(17-21)23-18-25-24-13-4-5-14-26(24)31-27-15-6-7-16-28(27)32-29(19-23)30(25)31/h1-22H;2*1-21H;1-18H;1-19H.
What are the key properties of 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 2426.11 g/mol, XLogP of 48.37, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzofuran-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-dibenzothiophen-4-ylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(9-phenylcarbazol-3-yl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-(3-phenylphenyl)-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 160765704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).