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

C88H60N6O2 — CID 89065012

IUPAC5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCC(CCCc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1)Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C88H60N6O2/c1-54(44-56-45-63(93-77-27-9-4-23-68(77)87-81(93)29-14-42-89-87)53-64(46-56)94-78-28-10-5-24-69(78)88-82(94)30-15-43-90-88)16-12-17-55-32-39-84-72(47-55)74-51-60(36-41-86(74)96-84)58-34-38-80-71(49-58)66-21-3-8-26-76(66)92(80)62-19-13-18-61(52-62)91-75-25-7-2-20-65(75)70-48-57(33-37-79(70)91)59-35-40-85-73(50-59)67-22-6-11-31-83(67)95-85/h2-11,13-15,18-43,45-54H,12,16-17,44H2,1H3
InChIKeyKPGSOPYCXGXNAL-UHFFFAOYSA-N
MW1233.49 g/mol
LogP23.20
Rot. Bonds12

About 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2-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-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 89065012) has the molecular formula C88H60N6O2 and a molecular weight of 1233.49 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-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-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID89065012
Molecular FormulaC88H60N6O2
Molecular Weight1233.49 g/mol
Exact Mass1232.48
IUPAC Name5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCC(CCCc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1)Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C88H60N6O2/c1-54(44-56-45-63(93-77-27-9-4-23-68(77)87-81(93)29-14-42-89-87)53-64(46-56)94-78-28-10-5-24-69(78)88-82(94)30-15-43-90-88)16-12-17-55-32-39-84-72(47-55)74-51-60(36-41-86(74)96-84)58-34-38-80-71(49-58)66-21-3-8-26-76(66)92(80)62-19-13-18-61(52-62)91-75-25-7-2-20-65(75)70-48-57(33-37-79(70)91)59-35-40-85-73(50-59)67-22-6-11-31-83(67)95-85/h2-11,13-15,18-43,45-54H,12,16-17,44H2,1H3
InChIKeyKPGSOPYCXGXNAL-UHFFFAOYSA-N
XLogP23.20
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.49
LogP ≤ 523.20
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-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-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-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 89065012) is 5-[3-[5-[8-[9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-2-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-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-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is CC(CCCc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3c2c1)Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1.
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-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is KPGSOPYCXGXNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H60N6O2/c1-54(44-56-45-63(93-77-27-9-4-23-68(77)87-81(93)29-14-42-89-87)53-64(46-56)94-78-28-10-5-24-69(78)88-82(94)30-15-43-90-88)16-12-17-55-32-39-84-72(47-55)74-51-60(36-41-86(74)96-84)58-34-38-80-71(49-58)66-21-3-8-26-76(66)92(80)62-19-13-18-61(52-62)91-75-25-7-2-20-65(75)70-48-57(33-37-79(70)91)59-35-40-85-73(50-59)67-22-6-11-31-83(67)95-85/h2-11,13-15,18-43,45-54H,12,16-17,44H2,1H3.
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-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-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 1233.49 g/mol, XLogP of 23.20, 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-methylpentyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 89065012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).