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

C51H37N5 — CID 144947118

IUPAC5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCC(C2=NC(c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)N=C(c3ccc(-c4ccccc4)cc3)N2)C=C1
InChIInChI=1S/C51H37N5/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)39-20-8-3-9-21-39/h1-17,19-33,36,51H,18H2,(H,52,53,54)
InChIKeyVFOJJXQCZVTHBQ-UHFFFAOYSA-N
MW719.89 g/mol
LogP12.13
Rot. Bonds6

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

5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 144947118) has the molecular formula C51H37N5 and a molecular weight of 719.89 g/mol. Its IUPAC name is 5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID144947118
Molecular FormulaC51H37N5
Molecular Weight719.89 g/mol
Exact Mass719.30
IUPAC Name5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCC(C2=NC(c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)N=C(c3ccc(-c4ccccc4)cc3)N2)C=C1
InChIInChI=1S/C51H37N5/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)39-20-8-3-9-21-39/h1-17,19-33,36,51H,18H2,(H,52,53,54)
InChIKeyVFOJJXQCZVTHBQ-UHFFFAOYSA-N
XLogP12.13
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 512.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171771502
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 134438469
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
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
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
9-[3-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-3-dibenzofuran-4-yl-6-phenylcarbazole
CID 145067647
9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-3-ium-2-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 145077606
5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 170285798

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole (CID 144947118) is 5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole is C1=CCC(C2=NC(c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)N=C(c3ccc(-c4ccccc4)cc3)N2)C=C1.
What is the InChIKey of 5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is VFOJJXQCZVTHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)50-52-49(36-17-6-2-7-18-36)53-51(54-50)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)39-20-8-3-9-21-39/h1-17,19-33,36,51H,18H2,(H,52,53,54).
What are the key properties of 5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 719.89 g/mol, XLogP of 12.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 144947118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).