4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole

C54H33NO2S — CID 118860881

IUPAC4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4ccccc4-c4ccccc4Oc4cc(-c6cccc7sc8ccccc8c67)ccc4-5)cccc32)cc1
InChIInChI=1S/C54H33NO2S/c1-2-14-36(15-3-1)55-45-22-8-4-18-43(45)53-37(20-12-23-46(53)55)34-28-30-41-42-31-29-35(38-21-13-27-52-54(38)44-19-7-11-26-51(44)58-52)33-50(42)57-48-25-10-6-17-40(48)39-16-5-9-24-47(39)56-49(41)32-34/h1-33H
InChIKeyVHGHRWNSVADNRI-UHFFFAOYSA-N
MW759.93 g/mol
LogP15.72
Rot. Bonds3

About 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole

4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole (PubChem CID 118860881) has the molecular formula C54H33NO2S and a molecular weight of 759.93 g/mol. Its IUPAC name is 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole
PubChem CID118860881
Molecular FormulaC54H33NO2S
Molecular Weight759.93 g/mol
Exact Mass759.22
IUPAC Name4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4ccccc4-c4ccccc4Oc4cc(-c6cccc7sc8ccccc8c67)ccc4-5)cccc32)cc1
InChIInChI=1S/C54H33NO2S/c1-2-14-36(15-3-1)55-45-22-8-4-18-43(45)53-37(20-12-23-46(53)55)34-28-30-41-42-31-29-35(38-21-13-27-52-54(38)44-19-7-11-26-51(44)58-52)33-50(42)57-48-25-10-6-17-40(48)39-16-5-9-24-47(39)56-49(41)32-34/h1-33H
InChIKeyVHGHRWNSVADNRI-UHFFFAOYSA-N
XLogP15.72
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.93
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole with MolForge

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Related Compounds

2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
2-[9-(3-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510074
4-[24-(1,2-dihydropyridin-4-yl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl]-9-phenylcarbazole
CID 118860701
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167138125
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434564
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724

Frequently Asked Questions

What is the IUPAC name of 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole?
The IUPAC name of 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole (CID 118860881) is 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole.
What is the SMILES notation for 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole?
The canonical SMILES for 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4ccccc4-c4ccccc4Oc4cc(-c6cccc7sc8ccccc8c67)ccc4-5)cccc32)cc1.
What is the InChIKey of 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole?
The InChIKey is VHGHRWNSVADNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2S/c1-2-14-36(15-3-1)55-45-22-8-4-18-43(45)53-37(20-12-23-46(53)55)34-28-30-41-42-31-29-35(38-21-13-27-52-54(38)44-19-7-11-26-51(44)58-52)33-50(42)57-48-25-10-6-17-40(48)39-16-5-9-24-47(39)56-49(41)32-34/h1-33H.
What are the key properties of 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole?
4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole has a molecular weight of 759.93 g/mol, XLogP of 15.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole is sourced from PubChem (CID 118860881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).