5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole

C69H44N12 — CID 89010547

IUPAC5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-n7c8ccccc8c8cnccc87)n6)n5)cc(-c5cccc(-c6cccc(-n7c8ccccc8c8cnccc87)n6)n5)c4)n3)n2)CN1
InChIInChI=1S/C69H44N12/c1-4-25-61-46(13-1)49-40-70-34-31-64(49)79(61)67-28-10-22-58(76-67)55-19-7-16-52(73-55)43-37-44(53-17-8-20-56(74-53)59-23-11-29-68(77-59)80-62-26-5-2-14-47(62)50-41-71-35-32-65(50)80)39-45(38-43)54-18-9-21-57(75-54)60-24-12-30-69(78-60)81-63-27-6-3-15-48(63)51-42-72-36-33-66(51)81/h1-41,72H,42H2
InChIKeyPTZDOKLXQTYNPO-UHFFFAOYSA-N
MW1041.20 g/mol
LogP15.06
Rot. Bonds9

About 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole

5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (PubChem CID 89010547) has the molecular formula C69H44N12 and a molecular weight of 1041.20 g/mol. Its IUPAC name is 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
PubChem CID89010547
Molecular FormulaC69H44N12
Molecular Weight1041.20 g/mol
Exact Mass1040.38
IUPAC Name5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-n7c8ccccc8c8cnccc87)n6)n5)cc(-c5cccc(-c6cccc(-n7c8ccccc8c8cnccc87)n6)n5)c4)n3)n2)CN1
InChIInChI=1S/C69H44N12/c1-4-25-61-46(13-1)49-40-70-34-31-64(49)79(61)67-28-10-22-58(76-67)55-19-7-16-52(73-55)43-37-44(53-17-8-20-56(74-53)59-23-11-29-68(77-59)80-62-26-5-2-14-47(62)50-41-71-35-32-65(50)80)39-45(38-43)54-18-9-21-57(75-54)60-24-12-30-69(78-60)81-63-27-6-3-15-48(63)51-42-72-36-33-66(51)81/h1-41,72H,42H2
InChIKeyPTZDOKLXQTYNPO-UHFFFAOYSA-N
XLogP15.06
TPSA129.94 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.20
LogP ≤ 515.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (CID 89010547) is 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is C1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-n7c8ccccc8c8cnccc87)n6)n5)cc(-c5cccc(-c6cccc(-n7c8ccccc8c8cnccc87)n6)n5)c4)n3)n2)CN1.
What is the InChIKey of 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is PTZDOKLXQTYNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N12/c1-4-25-61-46(13-1)49-40-70-34-31-64(49)79(61)67-28-10-22-58(76-67)55-19-7-16-52(73-55)43-37-44(53-17-8-20-56(74-53)59-23-11-29-68(77-59)80-62-26-5-2-14-47(62)50-41-71-35-32-65(50)80)39-45(38-43)54-18-9-21-57(75-54)60-24-12-30-69(78-60)81-63-27-6-3-15-48(63)51-42-72-36-33-66(51)81/h1-41,72H,42H2.
What are the key properties of 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?
5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 1041.20 g/mol, XLogP of 15.06, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-[3-[6-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-2-pyridinyl]-5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 89010547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).