6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole

C44H26Cl2N6 — CID 59326042

IUPAC6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESClc1ccc2c(c1)c1ccncc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccc(Cl)cc5c5ccncc54)cc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C44H26Cl2N6/c45-30-8-14-41-36(23-30)34-16-19-47-25-43(34)51(41)32-10-4-27(5-11-32)29-21-39(50-40(22-29)38-3-1-2-18-49-38)28-6-12-33(13-7-28)52-42-15-9-31(46)24-37(42)35-17-20-48-26-44(35)52/h1-26H
InChIKeyDGCDHJFRCSUUKF-UHFFFAOYSA-N
MW709.64 g/mol
LogP11.77
Rot. Bonds5

About 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole

6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole (PubChem CID 59326042) has the molecular formula C44H26Cl2N6 and a molecular weight of 709.64 g/mol. Its IUPAC name is 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole
PubChem CID59326042
Molecular FormulaC44H26Cl2N6
Molecular Weight709.64 g/mol
Exact Mass708.16
IUPAC Name6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESClc1ccc2c(c1)c1ccncc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccc(Cl)cc5c5ccncc54)cc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C44H26Cl2N6/c45-30-8-14-41-36(23-30)34-16-19-47-25-43(34)51(41)32-10-4-27(5-11-32)29-21-39(50-40(22-29)38-3-1-2-18-49-38)28-6-12-33(13-7-28)52-42-15-9-31(46)24-37(42)35-17-20-48-26-44(35)52/h1-26H
InChIKeyDGCDHJFRCSUUKF-UHFFFAOYSA-N
XLogP11.77
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.64
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole with MolForge

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Related Compounds

Dorastine
CID 30530
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
9-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-2-(3-pyridin-3-yl-propyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 44268210
5-chloro-3-[5-(5-chloro-1H-indol-3-yl)pyrazin-2-yl]-1H-indole
CID 134816916
6-chloro-2-[2-[2-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)ethoxy]ethyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 25195316
9-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-2-(2-pyridin-2-yl-ethyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 44268158
6-chloro-2-[(Z)-4-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)but-2-enyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578489
6-chloro-2-[4-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)but-2-ynyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578491
6-chloro-2-[[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578518
6-chloro-2-[[3-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578520

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole (CID 59326042) is 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole is Clc1ccc2c(c1)c1ccncc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccc(Cl)cc5c5ccncc54)cc3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
The InChIKey is DGCDHJFRCSUUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26Cl2N6/c45-30-8-14-41-36(23-30)34-16-19-47-25-43(34)51(41)32-10-4-27(5-11-32)29-21-39(50-40(22-29)38-3-1-2-18-49-38)28-6-12-33(13-7-28)52-42-15-9-31(46)24-37(42)35-17-20-48-26-44(35)52/h1-26H.
What are the key properties of 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole has a molecular weight of 709.64 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59326042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).