12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole

C56H39N5O — CID 163888894

IUPAC12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole
SMILESCN1C(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=NC(c2ccccc2)NC1c1ccc(-c2cccc3oc4ccccc4c23)c2ccccc12
InChIInChI=1S/C56H39N5O/c1-59-55(45-34-31-39(37-21-8-9-22-38(37)45)42-26-16-30-50-51(42)46-25-12-15-29-49(46)62-50)57-54(35-17-4-2-5-18-35)58-56(59)61-48-28-14-11-24-41(48)44-33-32-43-40-23-10-13-27-47(40)60(52(43)53(44)61)36-19-6-3-7-20-36/h2-34,54-55,57H,1H3
InChIKeyPZVSGTDOEQHVSC-UHFFFAOYSA-N
MW797.96 g/mol
LogP13.75
Rot. Bonds4

About 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole

12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 163888894) has the molecular formula C56H39N5O and a molecular weight of 797.96 g/mol. Its IUPAC name is 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID163888894
Molecular FormulaC56H39N5O
Molecular Weight797.96 g/mol
Exact Mass797.32
IUPAC Name12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole
SMILESCN1C(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=NC(c2ccccc2)NC1c1ccc(-c2cccc3oc4ccccc4c23)c2ccccc12
InChIInChI=1S/C56H39N5O/c1-59-55(45-34-31-39(37-21-8-9-22-38(37)45)42-26-16-30-50-51(42)46-25-12-15-29-49(46)62-50)57-54(35-17-4-2-5-18-35)58-56(59)61-48-28-14-11-24-41(48)44-33-32-43-40-23-10-13-27-47(40)60(52(43)53(44)61)36-19-6-3-7-20-36/h2-34,54-55,57H,1H3
InChIKeyPZVSGTDOEQHVSC-UHFFFAOYSA-N
XLogP13.75
TPSA50.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.96
LogP ≤ 513.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole with MolForge

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Related Compounds

12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170688597
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166801777
1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 163881699
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
3-dibenzofuran-1-yl-12-phenyl-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168727712
3-[6-(4-dibenzofuran-4-yl-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 147117938
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-1-phenylcarbazole
CID 163433245
(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
CID 177073528
15-[4-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenyl-25-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
CID 137095897

Frequently Asked Questions

What is the IUPAC name of 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole (CID 163888894) is 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole is CN1C(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=NC(c2ccccc2)NC1c1ccc(-c2cccc3oc4ccccc4c23)c2ccccc12.
What is the InChIKey of 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is PZVSGTDOEQHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N5O/c1-59-55(45-34-31-39(37-21-8-9-22-38(37)45)42-26-16-30-50-51(42)46-25-12-15-29-49(46)62-50)57-54(35-17-4-2-5-18-35)58-56(59)61-48-28-14-11-24-41(48)44-33-32-43-40-23-10-13-27-47(40)60(52(43)53(44)61)36-19-6-3-7-20-36/h2-34,54-55,57H,1H3.
What are the key properties of 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole?
12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 797.96 g/mol, XLogP of 13.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 163888894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).