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

C41H27N5 — CID 142731088

IUPAC11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5c6ccccc6n(-c6ccccc6)c5n5ccccc45)c3)n2)cc1
InChIInChI=1S/C41H27N5/c1-4-15-28(16-5-1)38-42-39(29-17-6-2-7-18-29)44-40(43-38)31-20-14-19-30(27-31)36-35-25-12-13-26-45(35)41-37(36)33-23-10-11-24-34(33)46(41)32-21-8-3-9-22-32/h1-27H
InChIKeyLRYAUMDBKZJCSY-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.89
Rot. Bonds5

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

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole (PubChem CID 142731088) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole.

Molecular Properties

Compound Name11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole
PubChem CID142731088
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5c6ccccc6n(-c6ccccc6)c5n5ccccc45)c3)n2)cc1
InChIInChI=1S/C41H27N5/c1-4-15-28(16-5-1)38-42-39(29-17-6-2-7-18-29)44-40(43-38)31-20-14-19-30(27-31)36-35-25-12-13-26-45(35)41-37(36)33-23-10-11-24-34(33)46(41)32-21-8-3-9-22-32/h1-27H
InChIKeyLRYAUMDBKZJCSY-UHFFFAOYSA-N
XLogP9.89
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,11-diphenylindolizino[3,2-b]indole
CID 142731136
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
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-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 139496806
9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-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;9-(4-phenylphenyl)-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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;9-phenyl-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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 160744147
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 130351139
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
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]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 169037238
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-(3-phenylphenyl)-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 156554565
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158533687
11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 159845108
5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255301

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole?
The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole (CID 142731088) is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole.
What is the SMILES notation for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole?
The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5c6ccccc6n(-c6ccccc6)c5n5ccccc45)c3)n2)cc1.
What is the InChIKey of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole?
The InChIKey is LRYAUMDBKZJCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c1-4-15-28(16-5-1)38-42-39(29-17-6-2-7-18-29)44-40(43-38)31-20-14-19-30(27-31)36-35-25-12-13-26-45(35)41-37(36)33-23-10-11-24-34(33)46(41)32-21-8-3-9-22-32/h1-27H.
What are the key properties of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole?
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole has a molecular weight of 589.70 g/mol, XLogP of 9.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole is sourced from PubChem (CID 142731088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).