11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole

C49H32N4O — CID 163969593

IUPAC11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole
SMILESc1ccc(C2=NC(c3cc(-n4c5ccccc5c5c(-c6ccccc6)cc6ccccc6c54)cc4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C49H32N4O/c1-4-16-31(17-5-1)39-28-34-22-10-11-23-36(34)46-45(39)37-24-12-14-26-41(37)53(46)35-29-40(44-38-25-13-15-27-42(38)54-43(44)30-35)49-51-47(32-18-6-2-7-19-32)50-48(52-49)33-20-8-3-9-21-33/h1-30,47H,(H,50,51,52)
InChIKeySOVFIZWUXSEEHB-UHFFFAOYSA-N
MW692.82 g/mol
LogP12.00
Rot. Bonds5

About 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole

11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole (PubChem CID 163969593) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole
PubChem CID163969593
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole
SMILESc1ccc(C2=NC(c3cc(-n4c5ccccc5c5c(-c6ccccc6)cc6ccccc6c54)cc4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C49H32N4O/c1-4-16-31(17-5-1)39-28-34-22-10-11-23-36(34)46-45(39)37-24-12-14-26-41(37)53(46)35-29-40(44-38-25-13-15-27-42(38)54-43(44)30-35)49-51-47(32-18-6-2-7-19-32)50-48(52-49)33-20-8-3-9-21-33/h1-30,47H,(H,50,51,52)
InChIKeySOVFIZWUXSEEHB-UHFFFAOYSA-N
XLogP12.00
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 512.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137
5-[1-[4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166699587
5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700065
12-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-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 166701946
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
5-[1-[4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167043225
3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938549
5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700494
12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700730
1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine
CID 156550295
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619

Frequently Asked Questions

What is the IUPAC name of 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole?
The IUPAC name of 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole (CID 163969593) is 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole.
What is the SMILES notation for 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole?
The canonical SMILES for 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole is c1ccc(C2=NC(c3cc(-n4c5ccccc5c5c(-c6ccccc6)cc6ccccc6c54)cc4oc5ccccc5c34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole?
The InChIKey is SOVFIZWUXSEEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-4-16-31(17-5-1)39-28-34-22-10-11-23-36(34)46-45(39)37-24-12-14-26-41(37)53(46)35-29-40(44-38-25-13-15-27-42(38)54-43(44)30-35)49-51-47(32-18-6-2-7-19-32)50-48(52-49)33-20-8-3-9-21-33/h1-30,47H,(H,50,51,52).
What are the key properties of 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole?
11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole has a molecular weight of 692.82 g/mol, XLogP of 12.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-6-phenylbenzo[a]carbazole is sourced from PubChem (CID 163969593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).