10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide

C43H25NO4S — CID 140938201

IUPAC10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide
SMILESO=S1(=O)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc3c(cc21)c1ccccc1n3-c1cccc2c1oc1ccccc12
InChIInChI=1S/C43H25NO4S/c45-49(46)40-23-10-5-17-32(40)43(30-15-3-8-21-38(30)47-39-22-9-4-16-31(39)43)33-25-36-29(24-41(33)49)26-12-1-6-18-34(26)44(36)35-19-11-14-28-27-13-2-7-20-37(27)48-42(28)35/h1-25H
InChIKeySVPYJXYHEDJVBU-UHFFFAOYSA-N
MW651.74 g/mol
LogP10.32
Rot. Bonds1

About 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide

10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide (PubChem CID 140938201) has the molecular formula C43H25NO4S and a molecular weight of 651.74 g/mol. Its IUPAC name is 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide.

Molecular Properties

Compound Name10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide
PubChem CID140938201
Molecular FormulaC43H25NO4S
Molecular Weight651.74 g/mol
Exact Mass651.15
IUPAC Name10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide
SMILESO=S1(=O)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc3c(cc21)c1ccccc1n3-c1cccc2c1oc1ccccc12
InChIInChI=1S/C43H25NO4S/c45-49(46)40-23-10-5-17-32(40)43(30-15-3-8-21-38(30)47-39-22-9-4-16-31(39)43)33-25-36-29(24-41(33)49)26-12-1-6-18-34(26)44(36)35-19-11-14-28-27-13-2-7-20-37(27)48-42(28)35/h1-25H
InChIKeySVPYJXYHEDJVBU-UHFFFAOYSA-N
XLogP10.32
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.74
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide with MolForge

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Related Compounds

9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole
CID 163426204
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
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'-xanthene]
CID 135140118
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
9-(8-chlorodibenzofuran-4-yl)carbazole
CID 139342225
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
CID 134475762
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide?
The IUPAC name of 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide (CID 140938201) is 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide.
What is the SMILES notation for 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide?
The canonical SMILES for 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide is O=S1(=O)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc3c(cc21)c1ccccc1n3-c1cccc2c1oc1ccccc12.
What is the InChIKey of 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide?
The InChIKey is SVPYJXYHEDJVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO4S/c45-49(46)40-23-10-5-17-32(40)43(30-15-3-8-21-38(30)47-39-22-9-4-16-31(39)43)33-25-36-29(24-41(33)49)26-12-1-6-18-34(26)44(36)35-19-11-14-28-27-13-2-7-20-37(27)48-42(28)35/h1-25H.
What are the key properties of 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide?
10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide has a molecular weight of 651.74 g/mol, XLogP of 10.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-4-ylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-xanthene] 21,21-dioxide is sourced from PubChem (CID 140938201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).