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

C41H27N5 — CID 142731240

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)c4ccccn4c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H27N5/c1-5-15-28(16-6-1)32-24-25-34-33(27-32)37-36(29-17-7-2-8-18-29)35-23-13-14-26-45(35)40(37)46(34)41-43-38(30-19-9-3-10-20-30)42-39(44-41)31-21-11-4-12-22-31/h1-27H
InChIKeyDDIAWQDRFGDFMZ-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.89
Rot. Bonds5

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole (PubChem CID 142731240) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole
PubChem CID142731240
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)c4ccccn4c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H27N5/c1-5-15-28(16-6-1)32-24-25-34-33(27-32)37-36(29-17-7-2-8-18-29)35-23-13-14-26-45(35)40(37)46(34)41-43-38(30-19-9-3-10-20-30)42-39(44-41)31-21-11-4-12-22-31/h1-27H
InChIKeyDDIAWQDRFGDFMZ-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
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolizino[3,2-b]indole
CID 142731088
5-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 129265397
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,9-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155153308
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139481059
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole (CID 142731240) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole is c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)c4ccccn4c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole?
The InChIKey is DDIAWQDRFGDFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c1-5-15-28(16-6-1)32-24-25-34-33(27-32)37-36(29-17-7-2-8-18-29)35-23-13-14-26-45(35)40(37)46(34)41-43-38(30-19-9-3-10-20-30)42-39(44-41)31-21-11-4-12-22-31/h1-27H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[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 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,11-diphenylindolizino[3,2-b]indole is sourced from PubChem (CID 142731240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).