5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole

C69H48N12 — CID 89010621

IUPAC5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole
SMILESC1=Cc2c(c3c(n2-c2ccc(-c4ccc(-c5cc(C6=CNC(c7ccc(-n8c9ccccc9c9cnccc98)cn7)C=C6)cc(-c6ccc(-c7ccc(-n8c9ccccc9c9cnccc98)cn7)nc6)c5)cn4)nc2)C=CNC3)CC1
InChIInChI=1S/C69H48N12/c1-4-10-64-52(7-1)55-40-70-28-25-67(55)79(64)49-16-22-61(76-37-49)58-19-13-43(34-73-58)46-31-47(44-14-20-59(74-35-44)62-23-17-50(38-77-62)80-65-11-5-2-8-53(65)56-41-71-29-26-68(56)80)33-48(32-46)45-15-21-60(75-36-45)63-24-18-51(39-78-63)81-66-12-6-3-9-54(66)57-42-72-30-27-69(57)81/h1-2,4-8,10-41,58,72-73H,3,9,42H2
InChIKeyLXPSPKGLNWVZIJ-UHFFFAOYSA-N
MW1045.23 g/mol
LogP14.38
Rot. Bonds9

About 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole

5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole (PubChem CID 89010621) has the molecular formula C69H48N12 and a molecular weight of 1045.23 g/mol. Its IUPAC name is 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole
PubChem CID89010621
Molecular FormulaC69H48N12
Molecular Weight1045.23 g/mol
Exact Mass1044.41
IUPAC Name5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole
SMILESC1=Cc2c(c3c(n2-c2ccc(-c4ccc(-c5cc(C6=CNC(c7ccc(-n8c9ccccc9c9cnccc98)cn7)C=C6)cc(-c6ccc(-c7ccc(-n8c9ccccc9c9cnccc98)cn7)nc6)c5)cn4)nc2)C=CNC3)CC1
InChIInChI=1S/C69H48N12/c1-4-10-64-52(7-1)55-40-70-28-25-67(55)79(64)49-16-22-61(76-37-49)58-19-13-43(34-73-58)46-31-47(44-14-20-59(74-35-44)62-23-17-50(38-77-62)80-65-11-5-2-8-53(65)56-41-71-29-26-68(56)80)33-48(32-46)45-15-21-60(75-36-45)63-24-18-51(39-78-63)81-66-12-6-3-9-54(66)57-42-72-30-27-69(57)81/h1-2,4-8,10-41,58,72-73H,3,9,42H2
InChIKeyLXPSPKGLNWVZIJ-UHFFFAOYSA-N
XLogP14.38
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001045.23
LogP ≤ 514.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole with MolForge

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Launch Full Analysis

Related Compounds

8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene
CID 163624546
5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
CID 143035806
5-[6-[5-[9,10-bis[4-(3-phenylphenyl)phenyl]anthracen-2-yl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole
CID 58351456
8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143310191
5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 71021903
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole
CID 70940766
9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole
CID 163431257
5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58099053
2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile
CID 144925313
5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
CID 145477210
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706

Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole (CID 89010621) is 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole is C1=Cc2c(c3c(n2-c2ccc(-c4ccc(-c5cc(C6=CNC(c7ccc(-n8c9ccccc9c9cnccc98)cn7)C=C6)cc(-c6ccc(-c7ccc(-n8c9ccccc9c9cnccc98)cn7)nc6)c5)cn4)nc2)C=CNC3)CC1.
What is the InChIKey of 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is LXPSPKGLNWVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N12/c1-4-10-64-52(7-1)55-40-70-28-25-67(55)79(64)49-16-22-61(76-37-49)58-19-13-43(34-73-58)46-31-47(44-14-20-59(74-35-44)62-23-17-50(38-77-62)80-65-11-5-2-8-53(65)56-41-71-29-26-68(56)80)33-48(32-46)45-15-21-60(75-36-45)63-24-18-51(39-78-63)81-66-12-6-3-9-54(66)57-42-72-30-27-69(57)81/h1-2,4-8,10-41,58,72-73H,3,9,42H2.
What are the key properties of 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole?
5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 1045.23 g/mol, XLogP of 14.38, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 89010621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).