5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

C89H62N6O2 — CID 121391621

IUPAC5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)CC(C)Cc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1
InChIInChI=1S/C89H62N6O2/c1-54(42-55(2)44-57-45-64(94-78-25-10-5-21-69(78)88-82(94)27-14-40-90-88)53-65(46-57)95-79-26-11-6-22-70(79)89-83(95)28-15-41-91-89)43-56-30-37-85-73(47-56)75-51-61(34-39-87(75)97-85)59-32-36-81-72(49-59)67-19-4-9-24-77(67)93(81)63-17-13-16-62(52-63)92-76-23-8-3-18-66(76)71-48-58(31-35-80(71)92)60-33-38-86-74(50-60)68-20-7-12-29-84(68)96-86/h3-41,45-55H,42-44H2,1-2H3
InChIKeyOEMUPTDUZUOUSV-UHFFFAOYSA-N
MW1247.52 g/mol
LogP23.45
Rot. Bonds12

About 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 121391621) has the molecular formula C89H62N6O2 and a molecular weight of 1247.52 g/mol. Its IUPAC name is 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID121391621
Molecular FormulaC89H62N6O2
Molecular Weight1247.52 g/mol
Exact Mass1246.49
IUPAC Name5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)CC(C)Cc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1
InChIInChI=1S/C89H62N6O2/c1-54(42-55(2)44-57-45-64(94-78-25-10-5-21-69(78)88-82(94)27-14-40-90-88)53-65(46-57)95-79-26-11-6-22-70(79)89-83(95)28-15-41-91-89)43-56-30-37-85-73(47-56)75-51-61(34-39-87(75)97-85)59-32-36-81-72(49-59)67-19-4-9-24-77(67)93(81)63-17-13-16-62(52-63)92-76-23-8-3-18-66(76)71-48-58(31-35-80(71)92)60-33-38-86-74(50-60)68-20-7-12-29-84(68)96-86/h3-41,45-55H,42-44H2,1-2H3
InChIKeyOEMUPTDUZUOUSV-UHFFFAOYSA-N
XLogP23.45
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.52
LogP ≤ 523.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 121391621) is 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is CC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)CC(C)Cc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1.
What is the InChIKey of 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is OEMUPTDUZUOUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H62N6O2/c1-54(42-55(2)44-57-45-64(94-78-25-10-5-21-69(78)88-82(94)27-14-40-90-88)53-65(46-57)95-79-26-11-6-22-70(79)89-83(95)28-15-41-91-89)43-56-30-37-85-73(47-56)75-51-61(34-39-87(75)97-85)59-32-36-81-72(49-59)67-19-4-9-24-77(67)93(81)63-17-13-16-62(52-63)92-76-23-8-3-18-66(76)71-48-58(31-35-80(71)92)60-33-38-86-74(50-60)68-20-7-12-29-84(68)96-86/h3-41,45-55H,42-44H2,1-2H3.
What are the key properties of 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 1247.52 g/mol, XLogP of 23.45, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2,4-dimethylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 121391621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).