9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole

C183H128N6 — CID 162220261

IUPAC9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole
SMILESCn1c2ccccc2c2c(-c3cccc4c(-c5cccc6c5-c5c(ccc7ccccc57)C65c6ccccc6-c6ccccc65)c5cccc(-c6cccc7c6c6ccccc6n7C)c5cc34)cccc21.Cn1c2ccccc2c2ccc(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6ccc7c8ccccc8n(C)c7c6)c5cc34)cc21.Cn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21
InChIInChI=1S/C69H44N2.2C57H42N2/c1-70-60-34-11-7-22-51(60)65-47(28-16-36-62(65)70)43-24-13-26-49-54(43)40-55-44(48-29-17-37-63-66(48)52-23-8-12-35-61(52)71(63)2)25-14-27-50(55)64(49)53-30-15-33-58-68(53)67-42-19-4-3-18-41(42)38-39-59(67)69(58)56-31-9-5-20-45(56)46-21-6-10-32-57(46)69;1-58-51-30-7-4-17-38(51)45-26-14-24-43(55(45)58)35-19-11-21-40-48(35)34-49-36(44-25-15-27-46-39-18-5-8-31-52(39)59(2)56(44)46)20-12-22-41(49)53(40)47-28-13-23-42-37-16-3-6-29-50(37)57(54(42)47)32-9-10-33-57;1-58-51-24-7-4-15-40(51)42-28-26-35(32-53(42)58)37-17-11-19-44-48(37)34-49-38(36-27-29-43-41-16-5-8-25-52(41)59(2)54(43)33-36)18-12-20-45(49)55(44)47-22-13-21-46-39-14-3-6-23-50(39)57(56(46)47)30-9-10-31-57/h3-40H,1-2H3;3-8,11-31,34H,9-10,32-33H2,1-2H3;3-8,11-29,32-34H,9-10,30-31H2,1-2H3
InChIKeyZUAFYRUTTYAHHK-UHFFFAOYSA-N
MW2411.08 g/mol
LogP48.03
Rot. Bonds9

About 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole

9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole (PubChem CID 162220261) has the molecular formula C183H128N6 and a molecular weight of 2411.08 g/mol. Its IUPAC name is 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole.

Molecular Properties

Compound Name9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole
PubChem CID162220261
Molecular FormulaC183H128N6
Molecular Weight2411.08 g/mol
Exact Mass2409.02
IUPAC Name9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole
SMILESCn1c2ccccc2c2c(-c3cccc4c(-c5cccc6c5-c5c(ccc7ccccc57)C65c6ccccc6-c6ccccc65)c5cccc(-c6cccc7c6c6ccccc6n7C)c5cc34)cccc21.Cn1c2ccccc2c2ccc(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6ccc7c8ccccc8n(C)c7c6)c5cc34)cc21.Cn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21
InChIInChI=1S/C69H44N2.2C57H42N2/c1-70-60-34-11-7-22-51(60)65-47(28-16-36-62(65)70)43-24-13-26-49-54(43)40-55-44(48-29-17-37-63-66(48)52-23-8-12-35-61(52)71(63)2)25-14-27-50(55)64(49)53-30-15-33-58-68(53)67-42-19-4-3-18-41(42)38-39-59(67)69(58)56-31-9-5-20-45(56)46-21-6-10-32-57(46)69;1-58-51-30-7-4-17-38(51)45-26-14-24-43(55(45)58)35-19-11-21-40-48(35)34-49-36(44-25-15-27-46-39-18-5-8-31-52(39)59(2)56(44)46)20-12-22-41(49)53(40)47-28-13-23-42-37-16-3-6-29-50(37)57(54(42)47)32-9-10-33-57;1-58-51-24-7-4-15-40(51)42-28-26-35(32-53(42)58)37-17-11-19-44-48(37)34-49-38(36-27-29-43-41-16-5-8-25-52(41)59(2)54(43)33-36)18-12-20-45(49)55(44)47-22-13-21-46-39-14-3-6-23-50(39)57(56(46)47)30-9-10-31-57/h3-40H,1-2H3;3-8,11-31,34H,9-10,32-33H2,1-2H3;3-8,11-29,32-34H,9-10,30-31H2,1-2H3
InChIKeyZUAFYRUTTYAHHK-UHFFFAOYSA-N
XLogP48.03
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms189
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002411.08
LogP ≤ 548.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole?
The IUPAC name of 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole (CID 162220261) is 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole.
What is the SMILES notation for 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole?
The canonical SMILES for 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole is Cn1c2ccccc2c2c(-c3cccc4c(-c5cccc6c5-c5c(ccc7ccccc57)C65c6ccccc6-c6ccccc65)c5cccc(-c6cccc7c6c6ccccc6n7C)c5cc34)cccc21.Cn1c2ccccc2c2ccc(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6ccc7c8ccccc8n(C)c7c6)c5cc34)cc21.Cn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21.
What is the InChIKey of 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole?
The InChIKey is ZUAFYRUTTYAHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N2.2C57H42N2/c1-70-60-34-11-7-22-51(60)65-47(28-16-36-62(65)70)43-24-13-26-49-54(43)40-55-44(48-29-17-37-63-66(48)52-23-8-12-35-61(52)71(63)2)25-14-27-50(55)64(49)53-30-15-33-58-68(53)67-42-19-4-3-18-41(42)38-39-59(67)69(58)56-31-9-5-20-45(56)46-21-6-10-32-57(46)69;1-58-51-30-7-4-17-38(51)45-26-14-24-43(55(45)58)35-19-11-21-40-48(35)34-49-36(44-25-15-27-46-39-18-5-8-31-52(39)59(2)56(44)46)20-12-22-41(49)53(40)47-28-13-23-42-37-16-3-6-29-50(37)57(54(42)47)32-9-10-33-57;1-58-51-24-7-4-15-40(51)42-28-26-35(32-53(42)58)37-17-11-19-44-48(37)34-49-38(36-27-29-43-41-16-5-8-25-52(41)59(2)54(43)33-36)18-12-20-45(49)55(44)47-22-13-21-46-39-14-3-6-23-50(39)57(56(46)47)30-9-10-31-57/h3-40H,1-2H3;3-8,11-31,34H,9-10,32-33H2,1-2H3;3-8,11-29,32-34H,9-10,30-31H2,1-2H3.
What are the key properties of 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole?
9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole has a molecular weight of 2411.08 g/mol, XLogP of 48.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole is sourced from PubChem (CID 162220261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).