3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]

C40H25N3O — CID 155766148

IUPAC3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccnn54)ccc32)cc1
InChIInChI=1S/C40H25N3O/c1-2-10-28(11-3-1)42-35-16-8-5-12-29(35)31-24-26(19-21-36(31)42)27-18-20-34-39(25-27)44-38-17-9-7-15-33(38)40(34)32-14-6-4-13-30(32)37-22-23-41-43(37)40/h1-25H
InChIKeyUZYYBSCJYWMAOB-UHFFFAOYSA-N
MW563.66 g/mol
LogP9.57
Rot. Bonds2

About 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]

3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] (PubChem CID 155766148) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene].

Molecular Properties

Compound Name3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
PubChem CID155766148
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccnn54)ccc32)cc1
InChIInChI=1S/C40H25N3O/c1-2-10-28(11-3-1)42-35-16-8-5-12-29(35)31-24-26(19-21-36(31)42)27-18-20-34-39(25-27)44-38-17-9-7-15-33(38)40(34)32-14-6-4-13-30(32)37-22-23-41-43(37)40/h1-25H
InChIKeyUZYYBSCJYWMAOB-UHFFFAOYSA-N
XLogP9.57
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
3',5'-bis(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656087
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
CID 118860801
3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole
CID 177126786
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
CID 70935948
11-[3-[9-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158285187
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731

Frequently Asked Questions

What is the IUPAC name of 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
The IUPAC name of 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] (CID 155766148) is 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene].
What is the SMILES notation for 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
The canonical SMILES for 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccnn54)ccc32)cc1.
What is the InChIKey of 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
The InChIKey is UZYYBSCJYWMAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-2-10-28(11-3-1)42-35-16-8-5-12-29(35)31-24-26(19-21-36(31)42)27-18-20-34-39(25-27)44-38-17-9-7-15-33(38)40(34)32-14-6-4-13-30(32)37-22-23-41-43(37)40/h1-25H.
What are the key properties of 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] has a molecular weight of 563.66 g/mol, XLogP of 9.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(9-phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] is sourced from PubChem (CID 155766148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).