3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole

C41H27N5 — CID 90296192

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(c5ccccc5n3-c3ccccc3)n4-c3ccccc3)n2)cc1
InChIInChI=1S/C41H27N5/c1-5-15-28(16-6-1)39-42-40(29-17-7-2-8-18-29)44-41(43-39)30-25-26-36-34(27-30)38-37(46(36)32-21-11-4-12-22-32)33-23-13-14-24-35(33)45(38)31-19-9-3-10-20-31/h1-27H
InChIKeyHNDVSSPBOCGQTG-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.91
Rot. Bonds5

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole (PubChem CID 90296192) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole
PubChem CID90296192
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(c5ccccc5n3-c3ccccc3)n4-c3ccccc3)n2)cc1
InChIInChI=1S/C41H27N5/c1-5-15-28(16-6-1)39-42-40(29-17-7-2-8-18-29)44-41(43-39)30-25-26-36-34(27-30)38-37(46(36)32-21-11-4-12-22-32)33-23-13-14-24-35(33)45(38)31-19-9-3-10-20-31/h1-27H
InChIKeyHNDVSSPBOCGQTG-UHFFFAOYSA-N
XLogP9.91
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648747
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole (CID 90296192) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(c5ccccc5n3-c3ccccc3)n4-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole?
The InChIKey is HNDVSSPBOCGQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c1-5-15-28(16-6-1)39-42-40(29-17-7-2-8-18-29)44-41(43-39)30-25-26-36-34(27-30)38-37(46(36)32-21-11-4-12-22-32)33-23-13-14-24-35(33)45(38)31-19-9-3-10-20-31/h1-27H.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole has a molecular weight of 589.70 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole is sourced from PubChem (CID 90296192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).