5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

C91H65N5O2 — CID 59359470

IUPAC5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCCC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)CC(C)Cc1ccc2oc3ccc(-c4ccc5c(c4)-c4ccccc4C5c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1
InChIInChI=1S/C91H65N5O2/c1-3-56(45-58-46-65(95-80-26-11-7-23-72(80)90-83(95)28-15-41-92-90)54-66(47-58)96-81-27-12-8-24-73(81)91-84(96)29-16-42-93-91)43-55(2)44-57-31-38-86-76(48-57)78-53-62(35-40-88(78)98-86)59-32-36-71-74(50-59)67-19-4-5-22-70(67)89(71)63-17-14-18-64(49-63)94-79-25-10-6-20-68(79)75-51-60(33-37-82(75)94)61-34-39-87-77(52-61)69-21-9-13-30-85(69)97-87/h4-42,46-56,89H,3,43-45H2,1-2H3
InChIKeyFQPLWSKMGNKTOI-UHFFFAOYSA-N
MW1260.55 g/mol
LogP23.90
Rot. Bonds13

About 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-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]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 59359470) has the molecular formula C91H65N5O2 and a molecular weight of 1260.55 g/mol. Its IUPAC name is 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-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]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID59359470
Molecular FormulaC91H65N5O2
Molecular Weight1260.55 g/mol
Exact Mass1259.51
IUPAC Name5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCCC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)CC(C)Cc1ccc2oc3ccc(-c4ccc5c(c4)-c4ccccc4C5c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1
InChIInChI=1S/C91H65N5O2/c1-3-56(45-58-46-65(95-80-26-11-7-23-72(80)90-83(95)28-15-41-92-90)54-66(47-58)96-81-27-12-8-24-73(81)91-84(96)29-16-42-93-91)43-55(2)44-57-31-38-86-76(48-57)78-53-62(35-40-88(78)98-86)59-32-36-71-74(50-59)67-19-4-5-22-70(67)89(71)63-17-14-18-64(49-63)94-79-25-10-6-20-68(79)75-51-60(33-37-82(75)94)61-34-39-87-77(52-61)69-21-9-13-30-85(69)97-87/h4-42,46-56,89H,3,43-45H2,1-2H3
InChIKeyFQPLWSKMGNKTOI-UHFFFAOYSA-N
XLogP23.90
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001260.55
LogP ≤ 523.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-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]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-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]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 59359470) is 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-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]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-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]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is CCC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)CC(C)Cc1ccc2oc3ccc(-c4ccc5c(c4)-c4ccccc4C5c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1.
What is the InChIKey of 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is FQPLWSKMGNKTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H65N5O2/c1-3-56(45-58-46-65(95-80-26-11-7-23-72(80)90-83(95)28-15-41-92-90)54-66(47-58)96-81-27-12-8-24-73(81)91-84(96)29-16-42-93-91)43-55(2)44-57-31-38-86-76(48-57)78-53-62(35-40-88(78)98-86)59-32-36-71-74(50-59)67-19-4-5-22-70(67)89(71)63-17-14-18-64(49-63)94-79-25-10-6-20-68(79)75-51-60(33-37-82(75)94)61-34-39-87-77(52-61)69-21-9-13-30-85(69)97-87/h4-42,46-56,89H,3,43-45H2,1-2H3.
What are the key properties of 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-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]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 1260.55 g/mol, XLogP of 23.90, 13 rotatable bonds, 0 hydrogen bond donors, and 7 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]-9H-fluoren-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59359470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).