6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole

C40H26N4 — CID 142731093

IUPAC6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole
SMILESc1ccc(-c2c3[nH]c4ccc(-n5c6ccccc6c6c5c(-c5ccccc5)n5ccccc65)cc4c3c3ccccn23)cc1
InChIInChI=1S/C40H26N4/c1-3-13-26(14-4-1)38-37-35(33-19-9-11-23-42(33)38)30-25-28(21-22-31(30)41-37)44-32-18-8-7-17-29(32)36-34-20-10-12-24-43(34)39(40(36)44)27-15-5-2-6-16-27/h1-25,41H
InChIKeyOJDSOJBEVSNPAZ-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.26
Rot. Bonds3

About 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole

6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole (PubChem CID 142731093) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole.

Molecular Properties

Compound Name6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole
PubChem CID142731093
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole
SMILESc1ccc(-c2c3[nH]c4ccc(-n5c6ccccc6c6c5c(-c5ccccc5)n5ccccc65)cc4c3c3ccccn23)cc1
InChIInChI=1S/C40H26N4/c1-3-13-26(14-4-1)38-37-35(33-19-9-11-23-42(33)38)30-25-28(21-22-31(30)41-37)44-32-18-8-7-17-29(32)36-34-20-10-12-24-43(34)39(40(36)44)27-15-5-2-6-16-27/h1-25,41H
InChIKeyOJDSOJBEVSNPAZ-UHFFFAOYSA-N
XLogP10.26
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-6-phenyl-5H-indolizino[2,1-b]indole
CID 142731155
2-bromo-6-(3-phenylphenyl)-5H-indolizino[2,1-b]indole
CID 142731215
2-(5,6-diphenylindolizino[2,1-b]indol-2-yl)-5,6-diphenylindolizino[2,1-b]indole
CID 142731173
3-(3-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 134602344
1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole
CID 144609045
6,12-diphenyl-5H-indolo[3,2-c]carbazole
CID 67494594
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
9-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169059406
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672692
5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
CID 138453883
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole?
The IUPAC name of 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole (CID 142731093) is 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole.
What is the SMILES notation for 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole?
The canonical SMILES for 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole is c1ccc(-c2c3[nH]c4ccc(-n5c6ccccc6c6c5c(-c5ccccc5)n5ccccc65)cc4c3c3ccccn23)cc1.
What is the InChIKey of 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole?
The InChIKey is OJDSOJBEVSNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-13-26(14-4-1)38-37-35(33-19-9-11-23-42(33)38)30-25-28(21-22-31(30)41-37)44-32-18-8-7-17-29(32)36-34-20-10-12-24-43(34)39(40(36)44)27-15-5-2-6-16-27/h1-25,41H.
What are the key properties of 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole?
6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole has a molecular weight of 562.68 g/mol, XLogP of 10.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole is sourced from PubChem (CID 142731093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).