2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole

C52H34N4 — CID 142731173

IUPAC2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole
SMILESc1ccc(-c2c3c(c4cc(-c5ccc6c(c5)c5c(c(-c7ccccc7)n7ccccc57)n6-c5ccccc5)ccc4n3-c3ccccc3)c3ccccn23)cc1
InChIInChI=1S/C52H34N4/c1-5-17-35(18-6-1)49-51-47(45-25-13-15-31-53(45)49)41-33-37(27-29-43(41)55(51)39-21-9-3-10-22-39)38-28-30-44-42(34-38)48-46-26-14-16-32-54(46)50(36-19-7-2-8-20-36)52(48)56(44)40-23-11-4-12-24-40/h1-34H
InChIKeySNVBBQJYNYWJKV-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.39
Rot. Bonds5

About 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole

2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole (PubChem CID 142731173) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole.

Molecular Properties

Compound Name2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole
PubChem CID142731173
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole
SMILESc1ccc(-c2c3c(c4cc(-c5ccc6c(c5)c5c(c(-c7ccccc7)n7ccccc57)n6-c5ccccc5)ccc4n3-c3ccccc3)c3ccccn23)cc1
InChIInChI=1S/C52H34N4/c1-5-17-35(18-6-1)49-51-47(45-25-13-15-31-53(45)49)41-33-37(27-29-43(41)55(51)39-21-9-3-10-22-39)38-28-30-44-42(34-38)48-46-26-14-16-32-54(46)50(36-19-7-2-8-20-36)52(48)56(44)40-23-11-4-12-24-40/h1-34H
InChIKeySNVBBQJYNYWJKV-UHFFFAOYSA-N
XLogP13.39
TPSA18.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole with MolForge

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Related Compounds

11-phenyl-10-(3-phenylphenyl)-7-[11-phenyl-10-(3-phenylphenyl)indolizino[2,3-b]indol-7-yl]indolizino[2,3-b]indole
CID 142731141
6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole
CID 142731093
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 159626577
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,18,27-triphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaene
CID 163546560
2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 171414552
12-(4-methylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 121287125
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole?
The IUPAC name of 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole (CID 142731173) is 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole.
What is the SMILES notation for 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole?
The canonical SMILES for 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole is c1ccc(-c2c3c(c4cc(-c5ccc6c(c5)c5c(c(-c7ccccc7)n7ccccc57)n6-c5ccccc5)ccc4n3-c3ccccc3)c3ccccn23)cc1.
What is the InChIKey of 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole?
The InChIKey is SNVBBQJYNYWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-5-17-35(18-6-1)49-51-47(45-25-13-15-31-53(45)49)41-33-37(27-29-43(41)55(51)39-21-9-3-10-22-39)38-28-30-44-42(34-38)48-46-26-14-16-32-54(46)50(36-19-7-2-8-20-36)52(48)56(44)40-23-11-4-12-24-40/h1-34H.
What are the key properties of 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole?
2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole has a molecular weight of 714.87 g/mol, XLogP of 13.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole is sourced from PubChem (CID 142731173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).