4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]

C145H87N5OS3 — CID 157227490

IUPAC4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)ccc32)cc1.c1ccc2c(c1)Sc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32.c1ccc2c(c1)Sc1c(-c3cccc4c3oc3ccccc34)cccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C53H32N2S.C49H30N2S.C43H25NOS/c1-2-14-34-31-36(29-27-33(34)13-1)54-46-23-7-4-16-39(46)41-32-35(28-30-48(41)54)37-17-11-22-45-52(37)56-50-26-10-6-20-43(50)53(45)42-19-5-9-25-49(42)55-47-24-8-3-15-38(47)40-18-12-21-44(53)51(40)55;1-2-14-32(15-3-1)50-42-24-8-5-17-35(42)37-30-31(28-29-44(37)50)33-18-12-23-41-48(33)52-46-27-11-7-21-39(46)49(41)38-20-6-10-26-45(38)51-43-25-9-4-16-34(43)36-19-13-22-40(49)47(36)51;1-5-22-36-26(12-1)28-14-10-20-34-40(28)44(36)37-23-6-3-18-32(37)43(34)33-19-4-8-25-39(33)46-42-31(17-11-21-35(42)43)30-16-9-15-29-27-13-2-7-24-38(27)45-41(29)30/h1-32H;1-30H;1-25H
InChIKeyATRZLSVKDIBPOR-UHFFFAOYSA-N
MW2011.53 g/mol
LogP38.08
Rot. Bonds5

About 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]

4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene] (PubChem CID 157227490) has the molecular formula C145H87N5OS3 and a molecular weight of 2011.53 g/mol. Its IUPAC name is 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene].

Molecular Properties

Compound Name4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
PubChem CID157227490
Molecular FormulaC145H87N5OS3
Molecular Weight2011.53 g/mol
Exact Mass2009.61
IUPAC Name4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)ccc32)cc1.c1ccc2c(c1)Sc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32.c1ccc2c(c1)Sc1c(-c3cccc4c3oc3ccccc34)cccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C53H32N2S.C49H30N2S.C43H25NOS/c1-2-14-34-31-36(29-27-33(34)13-1)54-46-23-7-4-16-39(46)41-32-35(28-30-48(41)54)37-17-11-22-45-52(37)56-50-26-10-6-20-43(50)53(45)42-19-5-9-25-49(42)55-47-24-8-3-15-38(47)40-18-12-21-44(53)51(40)55;1-2-14-32(15-3-1)50-42-24-8-5-17-35(42)37-30-31(28-29-44(37)50)33-18-12-23-41-48(33)52-46-27-11-7-21-39(46)49(41)38-20-6-10-26-45(38)51-43-25-9-4-16-34(43)36-19-13-22-40(49)47(36)51;1-5-22-36-26(12-1)28-14-10-20-34-40(28)44(36)37-23-6-3-18-32(37)43(34)33-19-4-8-25-39(33)46-42-31(17-11-21-35(42)43)30-16-9-15-29-27-13-2-7-24-38(27)45-41(29)30/h1-32H;1-30H;1-25H
InChIKeyATRZLSVKDIBPOR-UHFFFAOYSA-N
XLogP38.08
TPSA37.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002011.53
LogP ≤ 538.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene] with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073534
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073634
3-Dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
CID 53491596
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-amine
CID 57610462
3-Carbazol-9-yl-6-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 57653794
9-[8-[8-(8-Carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 57653808
3-Dibenzofuran-2-yl-9-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 57997677
3-Dibenzothiophen-2-yl-9-[8-(3-dibenzothiophen-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 57997678
3-Dibenzofuran-2-yl-9-[8-(3-dibenzofuran-2-ylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 57997703
14-Phenyl-5,18-bis(8-phenyldibenzofuran-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004104
9-[8-[8-[3-[8-(8-Carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 58038521
9-Phenyl-3-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 58038567

Frequently Asked Questions

What is the IUPAC name of 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]?
The IUPAC name of 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene] (CID 157227490) is 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene].
What is the SMILES notation for 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]?
The canonical SMILES for 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene] is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)ccc32)cc1.c1ccc2c(c1)Sc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32.c1ccc2c(c1)Sc1c(-c3cccc4c3oc3ccccc34)cccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]?
The InChIKey is ATRZLSVKDIBPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2S.C49H30N2S.C43H25NOS/c1-2-14-34-31-36(29-27-33(34)13-1)54-46-23-7-4-16-39(46)41-32-35(28-30-48(41)54)37-17-11-22-45-52(37)56-50-26-10-6-20-43(50)53(45)42-19-5-9-25-49(42)55-47-24-8-3-15-38(47)40-18-12-21-44(53)51(40)55;1-2-14-32(15-3-1)50-42-24-8-5-17-35(42)37-30-31(28-29-44(37)50)33-18-12-23-41-48(33)52-46-27-11-7-21-39(46)49(41)38-20-6-10-26-45(38)51-43-25-9-4-16-34(43)36-19-13-22-40(49)47(36)51;1-5-22-36-26(12-1)28-14-10-20-34-40(28)44(36)37-23-6-3-18-32(37)43(34)33-19-4-8-25-39(33)46-42-31(17-11-21-35(42)43)30-16-9-15-29-27-13-2-7-24-38(27)45-41(29)30/h1-32H;1-30H;1-25H.
What are the key properties of 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]?
4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene] has a molecular weight of 2011.53 g/mol, XLogP of 38.08, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene] is sourced from PubChem (CID 157227490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).