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

C90H64N6O2 — CID 59348281

IUPAC5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-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)c4ccccc4n5-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1
InChIInChI=1S/C90H64N6O2/c1-3-56(45-58-46-65(95-79-26-11-6-22-70(79)89-83(95)28-15-41-91-89)54-66(47-58)96-80-27-12-7-23-71(80)90-84(96)29-16-42-92-90)43-55(2)44-57-31-38-86-74(48-57)76-52-62(35-40-88(76)98-86)60-33-37-82-73(50-60)68-20-5-10-25-78(68)94(82)64-18-14-17-63(53-64)93-77-24-9-4-19-67(77)72-49-59(32-36-81(72)93)61-34-39-87-75(51-61)69-21-8-13-30-85(69)97-87/h4-42,46-56H,3,43-45H2,1-2H3
InChIKeySEAGHGRRYNVZJQ-UHFFFAOYSA-N
MW1261.54 g/mol
LogP23.84
Rot. Bonds13

About 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-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]carbazol-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 59348281) has the molecular formula C90H64N6O2 and a molecular weight of 1261.54 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-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]carbazol-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID59348281
Molecular FormulaC90H64N6O2
Molecular Weight1261.54 g/mol
Exact Mass1260.51
IUPAC Name5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-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)c4ccccc4n5-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1
InChIInChI=1S/C90H64N6O2/c1-3-56(45-58-46-65(95-79-26-11-6-22-70(79)89-83(95)28-15-41-91-89)54-66(47-58)96-80-27-12-7-23-71(80)90-84(96)29-16-42-92-90)43-55(2)44-57-31-38-86-74(48-57)76-52-62(35-40-88(76)98-86)60-33-37-82-73(50-60)68-20-5-10-25-78(68)94(82)64-18-14-17-63(53-64)93-77-24-9-4-19-67(77)72-49-59(32-36-81(72)93)61-34-39-87-75(51-61)69-21-8-13-30-85(69)97-87/h4-42,46-56H,3,43-45H2,1-2H3
InChIKeySEAGHGRRYNVZJQ-UHFFFAOYSA-N
XLogP23.84
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.54
LogP ≤ 523.84
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-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]carbazol-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]carbazol-3-yl]dibenzofuran-2-yl]-2-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 59348281) is 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-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]carbazol-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]carbazol-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)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-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is SEAGHGRRYNVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H64N6O2/c1-3-56(45-58-46-65(95-79-26-11-6-22-70(79)89-83(95)28-15-41-91-89)54-66(47-58)96-80-27-12-7-23-71(80)90-84(96)29-16-42-92-90)43-55(2)44-57-31-38-86-74(48-57)76-52-62(35-40-88(76)98-86)60-33-37-82-73(50-60)68-20-5-10-25-78(68)94(82)64-18-14-17-63(53-64)93-77-24-9-4-19-67(77)72-49-59(32-36-81(72)93)61-34-39-87-75(51-61)69-21-8-13-30-85(69)97-87/h4-42,46-56H,3,43-45H2,1-2H3.
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-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]carbazol-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 1261.54 g/mol, XLogP of 23.84, 13 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-ethyl-4-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59348281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).