3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]

C58H35N5O — CID 155766171

IUPAC3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1C21c2ccccc2-c2ccnn21
InChIInChI=1S/C58H35N5O/c1-6-18-46-43(17-1)55-31-32-59-63(55)58(46)47-19-7-12-24-56(47)64-57-35-38(25-28-48(57)58)62-53-29-26-36(60-49-20-8-2-13-39(49)40-14-3-9-21-50(40)60)33-44(53)45-34-37(27-30-54(45)62)61-51-22-10-4-15-41(51)42-16-5-11-23-52(42)61/h1-35H
InChIKeyUOMUMTNSYVHWPX-UHFFFAOYSA-N
MW817.95 g/mol
LogP14.10
Rot. Bonds3

About 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]

3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] (PubChem CID 155766171) has the molecular formula C58H35N5O and a molecular weight of 817.95 g/mol. Its IUPAC name is 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene].

Molecular Properties

Compound Name3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
PubChem CID155766171
Molecular FormulaC58H35N5O
Molecular Weight817.95 g/mol
Exact Mass817.28
IUPAC Name3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1C21c2ccccc2-c2ccnn21
InChIInChI=1S/C58H35N5O/c1-6-18-46-43(17-1)55-31-32-59-63(55)58(46)47-19-7-12-24-56(47)64-57-35-38(25-28-48(57)58)62-53-29-26-36(60-49-20-8-2-13-39(49)40-14-3-9-21-50(40)60)33-44(53)45-34-37(27-30-54(45)62)61-51-22-10-4-15-41(51)42-16-5-11-23-52(42)61/h1-35H
InChIKeyUOMUMTNSYVHWPX-UHFFFAOYSA-N
XLogP14.10
TPSA41.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.95
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] with MolForge

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Related Compounds

5-Phenyl-8-[3-[4-[9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]pyrido[3,2-b]indole
CID 89850147
9-[3-[3-Carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole
CID 138629069
6,11-Bis(3-carbazol-9-ylcarbazol-9-yl)-18-phenyl-24-(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene
CID 155637111
6,11-Bis(3-carbazol-9-ylcarbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene
CID 155637164
3'-Carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
CID 155766140
3'-(3-Carbazol-9-ylcarbazol-9-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
CID 155766141
3'-(9-Phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
CID 155766148
2'-(3-Carbazol-9-ylcarbazol-9-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
CID 155766152
3'-[3-(9-Phenylcarbazol-3-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
CID 155766154
2'-(9-Phenylcarbazol-3-yl)spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
CID 155766156
2'-[3-(9-Phenylcarbazol-3-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
CID 155766163
2'-[3,6-Di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
CID 155766165

Frequently Asked Questions

What is the IUPAC name of 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
The IUPAC name of 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] (CID 155766171) is 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene].
What is the SMILES notation for 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
The canonical SMILES for 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] is c1ccc2c(c1)Oc1cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1C21c2ccccc2-c2ccnn21.
What is the InChIKey of 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
The InChIKey is UOMUMTNSYVHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5O/c1-6-18-46-43(17-1)55-31-32-59-63(55)58(46)47-19-7-12-24-56(47)64-57-35-38(25-28-48(57)58)62-53-29-26-36(60-49-20-8-2-13-39(49)40-14-3-9-21-50(40)60)33-44(53)45-34-37(27-30-54(45)62)61-51-22-10-4-15-41(51)42-16-5-11-23-52(42)61/h1-35H.
What are the key properties of 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] has a molecular weight of 817.95 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[3,6-di(carbazol-9-yl)carbazol-9-yl]spiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] is sourced from PubChem (CID 155766171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).