5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole

C61H36N10 — CID 155141325

IUPAC5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
SMILESc1ccc2c(c1)c1ncccc1n2-c1cc(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21
InChIInChI=1S/C61H36N10/c1-6-21-42-37(16-1)54-47(26-11-31-62-54)67(42)52-36-53(68-43-22-7-2-17-38(43)55-48(68)27-12-32-63-55)60(70-45-24-9-4-19-40(45)57-50(70)29-14-34-65-57)61(71-46-25-10-5-20-41(46)58-51(71)30-15-35-66-58)59(52)69-44-23-8-3-18-39(44)56-49(69)28-13-33-64-56/h1-36H
InChIKeyXZQAFIBRPHAIJE-UHFFFAOYSA-N
MW909.03 g/mol
LogP14.15
Rot. Bonds5

About 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole

5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole (PubChem CID 155141325) has the molecular formula C61H36N10 and a molecular weight of 909.03 g/mol. Its IUPAC name is 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
PubChem CID155141325
Molecular FormulaC61H36N10
Molecular Weight909.03 g/mol
Exact Mass908.31
IUPAC Name5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
SMILESc1ccc2c(c1)c1ncccc1n2-c1cc(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21
InChIInChI=1S/C61H36N10/c1-6-21-42-37(16-1)54-47(26-11-31-62-54)67(42)52-36-53(68-43-22-7-2-17-38(43)55-48(68)27-12-32-63-55)60(70-45-24-9-4-19-40(45)57-50(70)29-14-34-65-57)61(71-46-25-10-5-20-41(46)58-51(71)30-15-35-66-58)59(52)69-44-23-8-3-18-39(44)56-49(69)28-13-33-64-56/h1-36H
InChIKeyXZQAFIBRPHAIJE-UHFFFAOYSA-N
XLogP14.15
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.03
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 164791660
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
8-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131420
2-methyl-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)benzonitrile
CID 146531108
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
5-(16-pyrido[3,2-b]indol-5-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)pyrido[3,2-b]indole
CID 59147166
5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 176634623
6,7,8,9-tetra(carbazol-9-yl)-[1]benzoselenolo[2,3-b]pyrazine;6,7,8-tri(carbazol-9-yl)-[1]benzoselenolo[2,3-b]pyrazine;6,8,9-tri(carbazol-9-yl)-[1]benzoselenolo[2,3-b]pyrazine
CID 162263111
6,7,8-tri(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 134351439
10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine
CID 135131249
9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole
CID 135130975
5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
CID 176634513

Frequently Asked Questions

What is the IUPAC name of 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole (CID 155141325) is 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole is c1ccc2c(c1)c1ncccc1n2-c1cc(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21.
What is the InChIKey of 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The InChIKey is XZQAFIBRPHAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N10/c1-6-21-42-37(16-1)54-47(26-11-31-62-54)67(42)52-36-53(68-43-22-7-2-17-38(43)55-48(68)27-12-32-63-55)60(70-45-24-9-4-19-40(45)57-50(70)29-14-34-65-57)61(71-46-25-10-5-20-41(46)58-51(71)30-15-35-66-58)59(52)69-44-23-8-3-18-39(44)56-49(69)28-13-33-64-56/h1-36H.
What are the key properties of 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole has a molecular weight of 909.03 g/mol, XLogP of 14.15, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 155141325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).