10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline

C42H29N5 — CID 136931578

IUPAC10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5nc6ccccc6c(-c6ccccc6)c54)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C42H29N5/c1-4-14-28(15-5-1)37-33-20-10-12-22-35(33)43-38-34-21-11-13-23-36(34)47(39(37)38)32-26-24-31(25-27-32)42-45-40(29-16-6-2-7-17-29)44-41(46-42)30-18-8-3-9-19-30/h1-27,40H,(H,44,45,46)
InChIKeyFJUSAALYXYEBDC-UHFFFAOYSA-N
MW603.73 g/mol
LogP9.49
Rot. Bonds5

About 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline

10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline (PubChem CID 136931578) has the molecular formula C42H29N5 and a molecular weight of 603.73 g/mol. Its IUPAC name is 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline.

Molecular Properties

Compound Name10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline
PubChem CID136931578
Molecular FormulaC42H29N5
Molecular Weight603.73 g/mol
Exact Mass603.24
IUPAC Name10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5nc6ccccc6c(-c6ccccc6)c54)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C42H29N5/c1-4-14-28(15-5-1)37-33-20-10-12-22-35(33)43-38-34-21-11-13-23-36(34)47(39(37)38)32-26-24-31(25-27-32)42-45-40(29-16-6-2-7-17-29)44-41(46-42)30-18-8-3-9-19-30/h1-27,40H,(H,44,45,46)
InChIKeyFJUSAALYXYEBDC-UHFFFAOYSA-N
XLogP9.49
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline with MolForge

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Related Compounds

3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648799
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
25-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 145268764
7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole
CID 137214915
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
2-dibenzothiophen-2-yl-12-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163940278
12-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 136934194
11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 162498267

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline?
The IUPAC name of 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline (CID 136931578) is 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline.
What is the SMILES notation for 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline?
The canonical SMILES for 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline is c1ccc(C2=NC(c3ccc(-n4c5ccccc5c5nc6ccccc6c(-c6ccccc6)c54)cc3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline?
The InChIKey is FJUSAALYXYEBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N5/c1-4-14-28(15-5-1)37-33-20-10-12-22-35(33)43-38-34-21-11-13-23-36(34)47(39(37)38)32-26-24-31(25-27-32)42-45-40(29-16-6-2-7-17-29)44-41(46-42)30-18-8-3-9-19-30/h1-27,40H,(H,44,45,46).
What are the key properties of 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline?
10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline has a molecular weight of 603.73 g/mol, XLogP of 9.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline is sourced from PubChem (CID 136931578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).