lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene

C131H85LiN7O4+ — CID 158095266

IUPAClithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
SMILES[CH3-].[Li+].c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)oc5ccccc56)c43)cc2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/2C42H26N2O.C36H22N2O.C10H8NO.CH3.Li/c1-2-10-27(11-3-1)28-18-20-29(21-19-28)44-36-15-7-4-12-31(36)34-24-25-38-41(42(34)44)35-14-5-8-16-37(35)43(38)30-22-23-33-32-13-6-9-17-39(32)45-40(33)26-30;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)35-24-27(18-22-39(35)43)28-19-23-40-36(25-28)32-13-5-8-16-38(32)44(40)30-20-21-34-33-14-6-9-17-41(33)45-42(34)26-30;1-2-10-23(11-3-1)37-31-16-8-5-14-29(31)35-32(37)21-20-28-25-12-4-7-15-30(25)38(36(28)35)24-18-19-27-26-13-6-9-17-33(26)39-34(27)22-24;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h2*1-26H;1-22H;1-6H,7H2;1H3;/q;;;+1;-1;+1
InChIKeyHXSQPGYUUMULGH-UHFFFAOYSA-N
MW1828.11 g/mol
LogP31.61
Rot. Bonds8

About lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene

lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene (PubChem CID 158095266) has the molecular formula C131H85LiN7O4+ and a molecular weight of 1828.11 g/mol. Its IUPAC name is lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene.

Molecular Properties

Compound Namelithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
PubChem CID158095266
Molecular FormulaC131H85LiN7O4+
Molecular Weight1828.11 g/mol
Exact Mass1826.68
IUPAC Namelithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
SMILES[CH3-].[Li+].c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)oc5ccccc56)c43)cc2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/2C42H26N2O.C36H22N2O.C10H8NO.CH3.Li/c1-2-10-27(11-3-1)28-18-20-29(21-19-28)44-36-15-7-4-12-31(36)34-24-25-38-41(42(34)44)35-14-5-8-16-37(35)43(38)30-22-23-33-32-13-6-9-17-39(32)45-40(33)26-30;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)35-24-27(18-22-39(35)43)28-19-23-40-36(25-28)32-13-5-8-16-38(32)44(40)30-20-21-34-33-14-6-9-17-41(33)45-42(34)26-30;1-2-10-23(11-3-1)37-31-16-8-5-14-29(31)35-32(37)21-20-28-25-12-4-7-15-30(25)38(36(28)35)24-18-19-27-26-13-6-9-17-33(26)39-34(27)22-24;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h2*1-26H;1-22H;1-6H,7H2;1H3;/q;;;+1;-1;+1
InChIKeyHXSQPGYUUMULGH-UHFFFAOYSA-N
XLogP31.61
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001828.11
LogP ≤ 531.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The IUPAC name of lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene (CID 158095266) is lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene.
What is the SMILES notation for lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The canonical SMILES for lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene is [CH3-].[Li+].c1cc2c3c(c1)ccc[n+]3CO2.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)oc5ccccc56)c43)cc2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)ccc32)cc1.
What is the InChIKey of lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
The InChIKey is HXSQPGYUUMULGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26N2O.C36H22N2O.C10H8NO.CH3.Li/c1-2-10-27(11-3-1)28-18-20-29(21-19-28)44-36-15-7-4-12-31(36)34-24-25-38-41(42(34)44)35-14-5-8-16-37(35)43(38)30-22-23-33-32-13-6-9-17-39(32)45-40(33)26-30;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)35-24-27(18-22-39(35)43)28-19-23-40-36(25-28)32-13-5-8-16-38(32)44(40)30-20-21-34-33-14-6-9-17-41(33)45-42(34)26-30;1-2-10-23(11-3-1)37-31-16-8-5-14-29(31)35-32(37)21-20-28-25-12-4-7-15-30(25)38(36(28)35)24-18-19-27-26-13-6-9-17-33(26)39-34(27)22-24;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;;/h2*1-26H;1-22H;1-6H,7H2;1H3;/q;;;+1;-1;+1.
What are the key properties of lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene?
lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene has a molecular weight of 1828.11 g/mol, XLogP of 31.61, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbanide;3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;5-dibenzofuran-3-yl-12-(4-phenylphenyl)indolo[3,2-c]carbazole;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene is sourced from PubChem (CID 158095266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).