2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole

C64H42N8 — CID 101437631

IUPAC2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole
SMILESc1ccc(-c2cc3ccccc3n2-c2ccc(-n3c(-c4ccccn4)c(-c4c(-c5ccccn5)n(-c5ccc(-n6c(-c7ccccn7)cc7ccccc76)cc5)c5ccccc45)c4ccccc43)cc2)nc1
InChIInChI=1S/C64H42N8/c1-5-25-55-43(17-1)41-59(51-21-9-13-37-65-51)69(55)45-29-33-47(34-30-45)71-57-27-7-3-19-49(57)61(63(71)53-23-11-15-39-67-53)62-50-20-4-8-28-58(50)72(64(62)54-24-12-16-40-68-54)48-35-31-46(32-36-48)70-56-26-6-2-18-44(56)42-60(70)52-22-10-14-38-66-52/h1-42H
InChIKeyXHGBCPZNHAJHLE-UHFFFAOYSA-N
MW923.10 g/mol
LogP15.38
Rot. Bonds9

About 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole

2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole (PubChem CID 101437631) has the molecular formula C64H42N8 and a molecular weight of 923.10 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole
PubChem CID101437631
Molecular FormulaC64H42N8
Molecular Weight923.10 g/mol
Exact Mass922.35
IUPAC Name2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole
SMILESc1ccc(-c2cc3ccccc3n2-c2ccc(-n3c(-c4ccccn4)c(-c4c(-c5ccccn5)n(-c5ccc(-n6c(-c7ccccn7)cc7ccccc76)cc5)c5ccccc45)c4ccccc43)cc2)nc1
InChIInChI=1S/C64H42N8/c1-5-25-55-43(17-1)41-59(51-21-9-13-37-65-51)69(55)45-29-33-47(34-30-45)71-57-27-7-3-19-49(57)61(63(71)53-23-11-15-39-67-53)62-50-20-4-8-28-58(50)72(64(62)54-24-12-16-40-68-54)48-35-31-46(32-36-48)70-56-26-6-2-18-44(56)42-60(70)52-22-10-14-38-66-52/h1-42H
InChIKeyXHGBCPZNHAJHLE-UHFFFAOYSA-N
XLogP15.38
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.10
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
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-methylpyrido[3,4-b]indol-2-ium-9-yl)nonyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223338
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
2-Methyl-5-[8-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)octyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186427
2-Methyl-9-[9-(2-methyl-1,2,3,4-tetrahydro-beta-carboline-9-yl)nonyl]-1,2,3,4-tetrahydro-beta-carboline
CID 46222450
1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
5-(9-Pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
CID 122186421
2-Methyl-9-[5-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)pentyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223336
2-Methyl-9-[12-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)dodecyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223340
5-(6-Pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole
CID 122186418

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole?
The IUPAC name of 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole (CID 101437631) is 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole.
What is the SMILES notation for 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole?
The canonical SMILES for 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole is c1ccc(-c2cc3ccccc3n2-c2ccc(-n3c(-c4ccccn4)c(-c4c(-c5ccccn5)n(-c5ccc(-n6c(-c7ccccn7)cc7ccccc76)cc5)c5ccccc45)c4ccccc43)cc2)nc1.
What is the InChIKey of 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole?
The InChIKey is XHGBCPZNHAJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N8/c1-5-25-55-43(17-1)41-59(51-21-9-13-37-65-51)69(55)45-29-33-47(34-30-45)71-57-27-7-3-19-49(57)61(63(71)53-23-11-15-39-67-53)62-50-20-4-8-28-58(50)72(64(62)54-24-12-16-40-68-54)48-35-31-46(32-36-48)70-56-26-6-2-18-44(56)42-60(70)52-22-10-14-38-66-52/h1-42H.
What are the key properties of 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole?
2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole has a molecular weight of 923.10 g/mol, XLogP of 15.38, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole is sourced from PubChem (CID 101437631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).