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

C42H27N5 — CID 146328892

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)cc2c4ccccc4nc-2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N5/c1-5-15-28(16-6-1)32-25-33-27-36-34-23-13-14-24-37(34)43-41(36)47(38(33)35(26-32)29-17-7-2-8-18-29)42-45-39(30-19-9-3-10-20-30)44-40(46-42)31-21-11-4-12-22-31/h1-27H
InChIKeyJLVOBPVBPSCBCT-UHFFFAOYSA-N
MW601.71 g/mol
LogP10.14
Rot. Bonds5

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline (PubChem CID 146328892) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline
PubChem CID146328892
Molecular FormulaC42H27N5
Molecular Weight601.71 g/mol
Exact Mass601.23
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)cc2c4ccccc4nc-2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N5/c1-5-15-28(16-6-1)32-25-33-27-36-34-23-13-14-24-37(34)43-41(36)47(38(33)35(26-32)29-17-7-2-8-18-29)42-45-39(30-19-9-3-10-20-30)44-40(46-42)31-21-11-4-12-22-31/h1-27H
InChIKeyJLVOBPVBPSCBCT-UHFFFAOYSA-N
XLogP10.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole
CID 118448602
4-phenyl-2-(3-phenylphenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170539134
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
CID 146281289
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 146281025
11-[2-phenyl-4-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167154429
6-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole
CID 118052543
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168835067
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
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline (CID 146328892) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline is c1ccc(-c2cc(-c3ccccc3)c3c(c2)cc2c4ccccc4nc-2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline?
The InChIKey is JLVOBPVBPSCBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-5-15-28(16-6-1)32-25-33-27-36-34-23-13-14-24-37(34)43-41(36)47(38(33)35(26-32)29-17-7-2-8-18-29)42-45-39(30-19-9-3-10-20-30)44-40(46-42)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)-2,4-diphenylindolo[2,3-b]quinoline?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenylindolo[2,3-b]quinoline has a molecular weight of 601.71 g/mol, XLogP of 10.14, 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)-2,4-diphenylindolo[2,3-b]quinoline is sourced from PubChem (CID 146328892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).