6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole

C44H28N6 — CID 118069035

IUPAC6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole
SMILESc1cncc(-c2cccc(-c3ccc4c(c3)c3ccncc3n4-c3cccc(-n4c5ccc(-c6cccnc6)cc5c5ncccc54)c3)c2)c1
InChIInChI=1S/C44H28N6/c1-6-29(22-30(7-1)33-8-3-18-45-26-33)31-13-15-40-38(23-31)37-17-21-47-28-43(37)50(40)36-11-2-10-35(25-36)49-41-16-14-32(34-9-4-19-46-27-34)24-39(41)44-42(49)12-5-20-48-44/h1-28H
InChIKeyJXIFDSAIECPFPW-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.46
Rot. Bonds5

About 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole

6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole (PubChem CID 118069035) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole
PubChem CID118069035
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole
SMILESc1cncc(-c2cccc(-c3ccc4c(c3)c3ccncc3n4-c3cccc(-n4c5ccc(-c6cccnc6)cc5c5ncccc54)c3)c2)c1
InChIInChI=1S/C44H28N6/c1-6-29(22-30(7-1)33-8-3-18-45-26-33)31-13-15-40-38(23-31)37-17-21-47-28-43(37)50(40)36-11-2-10-35(25-36)49-41-16-14-32(34-9-4-19-46-27-34)24-39(41)44-42(49)12-5-20-48-44/h1-28H
InChIKeyJXIFDSAIECPFPW-UHFFFAOYSA-N
XLogP10.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole with MolForge

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Related Compounds

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
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 144568656
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
5-[3-[6-[6-(3-pyrido[3,4-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[3-[6-[6-(3-pyrido[3,4-b]indol-9-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[3-[6-[6-(3-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 158851264

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole?
The IUPAC name of 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole (CID 118069035) is 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole is c1cncc(-c2cccc(-c3ccc4c(c3)c3ccncc3n4-c3cccc(-n4c5ccc(-c6cccnc6)cc5c5ncccc54)c3)c2)c1.
What is the InChIKey of 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole?
The InChIKey is JXIFDSAIECPFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-6-29(22-30(7-1)33-8-3-18-45-26-33)31-13-15-40-38(23-31)37-17-21-47-28-43(37)50(40)36-11-2-10-35(25-36)49-41-16-14-32(34-9-4-19-46-27-34)24-39(41)44-42(49)12-5-20-48-44/h1-28H.
What are the key properties of 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole?
6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 118069035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).