5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole

C47H31N5 — CID 142731136

IUPAC5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)c4ccccn4c2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C47H31N5/c1-5-16-32(17-6-1)36-27-28-40-39(31-36)43-42(33-18-7-2-8-19-33)41-26-13-14-29-51(41)47(43)52(40)38-25-15-24-37(30-38)46-49-44(34-20-9-3-10-21-34)48-45(50-46)35-22-11-4-12-23-35/h1-31H
InChIKeyLUYBTIILOXBWPD-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.56
Rot. Bonds6

About 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole (PubChem CID 142731136) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole.

Molecular Properties

Compound Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole
PubChem CID142731136
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)c4ccccn4c2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C47H31N5/c1-5-16-32(17-6-1)36-27-28-40-39(31-36)43-42(33-18-7-2-8-19-33)41-26-13-14-29-51(41)47(43)52(40)38-25-15-24-37(30-38)46-49-44(34-20-9-3-10-21-34)48-45(50-46)35-22-11-4-12-23-35/h1-31H
InChIKeyLUYBTIILOXBWPD-UHFFFAOYSA-N
XLogP11.56
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole
CID 142731240
5-(3-carbazol-9-ylphenyl)-2,11-diphenylindolizino[3,2-b]indole
CID 142731248
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole
CID 142731088
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-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 122598828
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-20-(4-phenylphenyl)-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,11,14,16,18-nonaene
CID 156900535
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole?
The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole (CID 142731136) is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole.
What is the SMILES notation for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole?
The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole is c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)c4ccccn4c2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole?
The InChIKey is LUYBTIILOXBWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-5-16-32(17-6-1)36-27-28-40-39(31-36)43-42(33-18-7-2-8-19-33)41-26-13-14-29-51(41)47(43)52(40)38-25-15-24-37(30-38)46-49-44(34-20-9-3-10-21-34)48-45(50-46)35-22-11-4-12-23-35/h1-31H.
What are the key properties of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole?
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole has a molecular weight of 665.80 g/mol, XLogP of 11.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole is sourced from PubChem (CID 142731136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).