5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole

C41H25N5S2 — CID 135252086

IUPAC5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole
SMILESc1csc(-n2c3ccccc3c3c4ccccc4n(-c4ccnc(-n5c6ccccc6c6c7ccccc7n(-c7cccs7)c65)c4)c32)c1
InChIInChI=1S/C41H25N5S2/c1-5-15-31-27(11-1)38-29-13-3-7-17-33(29)45(36-19-9-23-47-36)40(38)43(31)26-21-22-42-35(25-26)44-32-16-6-2-12-28(32)39-30-14-4-8-18-34(30)46(41(39)44)37-20-10-24-48-37/h1-25H
InChIKeyRUDTZWXGUWZZNG-UHFFFAOYSA-N
MW651.82 g/mol
LogP11.29
Rot. Bonds4

About 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole

5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole (PubChem CID 135252086) has the molecular formula C41H25N5S2 and a molecular weight of 651.82 g/mol. Its IUPAC name is 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole.

Molecular Properties

Compound Name5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole
PubChem CID135252086
Molecular FormulaC41H25N5S2
Molecular Weight651.82 g/mol
Exact Mass651.16
IUPAC Name5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole
SMILESc1csc(-n2c3ccccc3c3c4ccccc4n(-c4ccnc(-n5c6ccccc6c6c7ccccc7n(-c7cccs7)c65)c4)c32)c1
InChIInChI=1S/C41H25N5S2/c1-5-15-31-27(11-1)38-29-13-3-7-17-33(29)45(36-19-9-23-47-36)40(38)43(31)26-21-22-42-35(25-26)44-32-16-6-2-12-28(32)39-30-14-4-8-18-34(30)46(41(39)44)37-20-10-24-48-37/h1-25H
InChIKeyRUDTZWXGUWZZNG-UHFFFAOYSA-N
XLogP11.29
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.82
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-bis(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)benzene-1,4-dicarbonitrile
CID 135255603
6-(12-nonacyclo[22.18.0.03,22.04,9.010,15.016,21.025,30.031,36.037,42]dotetraconta-1,3(22),4,6,8,10(15),11,13,16,18,20,23,25,27,29,31,33,35,37,39,41-henicosaenyl)-5-pyrimidin-2-ylindolo[2,3-b]indole
CID 137458290
1-[5-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-6-yl]-[1]benzothiolo[2,3-c]pyridine
CID 146632237
6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
CID 146631702
ethane;6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
CID 144619418
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
CID 144596272
5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole
CID 159023598
N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine
CID 146367048
2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide
CID 140758977
9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
CID 58500998
16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
CID 146631472

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole?
The IUPAC name of 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole (CID 135252086) is 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole.
What is the SMILES notation for 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole?
The canonical SMILES for 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole is c1csc(-n2c3ccccc3c3c4ccccc4n(-c4ccnc(-n5c6ccccc6c6c7ccccc7n(-c7cccs7)c65)c4)c32)c1.
What is the InChIKey of 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole?
The InChIKey is RUDTZWXGUWZZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5S2/c1-5-15-31-27(11-1)38-29-13-3-7-17-33(29)45(36-19-9-23-47-36)40(38)43(31)26-21-22-42-35(25-26)44-32-16-6-2-12-28(32)39-30-14-4-8-18-34(30)46(41(39)44)37-20-10-24-48-37/h1-25H.
What are the key properties of 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole?
5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole has a molecular weight of 651.82 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-6-[2-(6-thiophen-2-ylindolo[2,3-b]indol-5-yl)-4-pyridinyl]indolo[2,3-b]indole is sourced from PubChem (CID 135252086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).