5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole

C50H38N6 — CID 146359307

IUPAC5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CC(c2ccc(C3=NC(C4=CC=C(n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)CN4)N=C(c4ccccc4)N3)cc2)=CCC1
InChIInChI=1S/C50H38N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)43-29-28-38(32-51-43)56-45-23-13-11-21-40(45)42-30-41-39-20-10-12-22-44(39)55(46(41)31-47(42)56)37-18-8-3-9-19-37/h2-4,6-31,50-51H,1,5,32H2,(H,52,53,54)
InChIKeyPSBSBLZCGQVTBL-UHFFFAOYSA-N
MW722.90 g/mol
LogP10.78
Rot. Bonds6

About 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole

5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 146359307) has the molecular formula C50H38N6 and a molecular weight of 722.90 g/mol. Its IUPAC name is 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID146359307
Molecular FormulaC50H38N6
Molecular Weight722.90 g/mol
Exact Mass722.32
IUPAC Name5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CC(c2ccc(C3=NC(C4=CC=C(n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)CN4)N=C(c4ccccc4)N3)cc2)=CCC1
InChIInChI=1S/C50H38N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)43-29-28-38(32-51-43)56-45-23-13-11-21-40(45)42-30-41-39-20-10-12-22-44(39)55(46(41)31-47(42)56)37-18-8-3-9-19-37/h2-4,6-31,50-51H,1,5,32H2,(H,52,53,54)
InChIKeyPSBSBLZCGQVTBL-UHFFFAOYSA-N
XLogP10.78
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.90
LogP ≤ 510.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole
CID 144956882
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187
cyclohexa-1,5-dien-1-ylbenzene;9-(4-ethylphenyl)carbazole
CID 175264939
2-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 153146709
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 90247491
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)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;ethane
CID 177063272
7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 166961159
9-[3-carbazol-9-yl-5-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]carbazole
CID 170151461
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)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 177063273
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole (CID 146359307) is 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole is C1=CC(c2ccc(C3=NC(C4=CC=C(n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)CN4)N=C(c4ccccc4)N3)cc2)=CCC1.
What is the InChIKey of 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is PSBSBLZCGQVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)43-29-28-38(32-51-43)56-45-23-13-11-21-40(45)42-30-41-39-20-10-12-22-44(39)55(46(41)31-47(42)56)37-18-8-3-9-19-37/h2-4,6-31,50-51H,1,5,32H2,(H,52,53,54).
What are the key properties of 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole?
5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 722.90 g/mol, XLogP of 10.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 146359307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).