3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile

C29H17N5 — CID 176628062

IUPAC3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccncc32)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C29H17N5/c30-17-19-14-20(33-26-9-3-1-6-22(26)24-11-13-31-18-28(24)33)16-21(15-19)34-27-10-4-2-7-23(27)25-8-5-12-32-29(25)34/h1-16,18H
InChIKeyIUXHIZJDULCPBY-UHFFFAOYSA-N
MW435.49 g/mol
LogP6.54
Rot. Bonds2

About 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile

3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile (PubChem CID 176628062) has the molecular formula C29H17N5 and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile.

Molecular Properties

Compound Name3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
PubChem CID176628062
Molecular FormulaC29H17N5
Molecular Weight435.49 g/mol
Exact Mass435.15
IUPAC Name3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccncc32)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C29H17N5/c30-17-19-14-20(33-26-9-3-1-6-22(26)24-11-13-31-18-28(24)33)16-21(15-19)34-27-10-4-2-7-23(27)25-8-5-12-32-29(25)34/h1-16,18H
InChIKeyIUXHIZJDULCPBY-UHFFFAOYSA-N
XLogP6.54
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile
CID 174122625
3-(2-carbazol-9-ylphenyl)-5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzonitrile
CID 167507200
12-(3-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(3-pyrido[2,3-b]indol-9-ylphenyl)indolo[2,3-a]carbazole;11-phenyl-12-(3-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-a]carbazole;11-phenyl-12-(3-pyrido[4,3-b]indol-5-ylphenyl)indolo[2,3-a]carbazole
CID 162076945
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
7-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[2,3-b]carbazole;7-phenyl-5-(3-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[3-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]indolo[2,3-b]carbazole
CID 159693761
5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole
CID 159102469
8-[18-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67952852
9-phenylpyrido[2,3-b]indole
CID 15939260
2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
CID 146630889
9-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]pyrido[2,3-b]indole;9-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]pyrido[3,4-b]indole;8-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158452701
5-phenyl-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[3,4-b]indol-6-yl)indolo[3,2-c]carbazole
CID 162215345
5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile
CID 132545702

Frequently Asked Questions

What is the IUPAC name of 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile?
The IUPAC name of 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile (CID 176628062) is 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile.
What is the SMILES notation for 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile?
The canonical SMILES for 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile is N#Cc1cc(-n2c3ccccc3c3ccncc32)cc(-n2c3ccccc3c3cccnc32)c1.
What is the InChIKey of 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile?
The InChIKey is IUXHIZJDULCPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N5/c30-17-19-14-20(33-26-9-3-1-6-22(26)24-11-13-31-18-28(24)33)16-21(15-19)34-27-10-4-2-7-23(27)25-8-5-12-32-29(25)34/h1-16,18H.
What are the key properties of 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile?
3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile has a molecular weight of 435.49 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile is sourced from PubChem (CID 176628062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).