3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole

C49H32N4O — CID 154938549

IUPAC3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(C2N=C(c3ccc4ccccc4c3)N=C(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C49H32N4O/c1-3-14-32(15-4-1)47-50-48(35-24-23-31-13-7-8-16-33(31)27-35)52-49(51-47)36-29-40(46-39-20-10-12-22-44(39)54-45(46)30-36)34-25-26-43-41(28-34)38-19-9-11-21-42(38)53(43)37-17-5-2-6-18-37/h1-30,47H,(H,50,51,52)
InChIKeyORVJYJSBDQWCCP-UHFFFAOYSA-N
MW692.82 g/mol
LogP12.00
Rot. Bonds5

About 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole

3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 154938549) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
PubChem CID154938549
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(C2N=C(c3ccc4ccccc4c3)N=C(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C49H32N4O/c1-3-14-32(15-4-1)47-50-48(35-24-23-31-13-7-8-16-33(31)27-35)52-49(51-47)36-29-40(46-39-20-10-12-22-44(39)54-45(46)30-36)34-25-26-43-41(28-34)38-19-9-11-21-42(38)53(43)37-17-5-2-6-18-37/h1-30,47H,(H,50,51,52)
InChIKeyORVJYJSBDQWCCP-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

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-[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-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
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
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699128
5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167042967
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 146395931
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
12-[1-[2-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)-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 167043912

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole (CID 154938549) is 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole is c1ccc(C2N=C(c3ccc4ccccc4c3)N=C(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)N2)cc1.
What is the InChIKey of 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The InChIKey is ORVJYJSBDQWCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-3-14-32(15-4-1)47-50-48(35-24-23-31-13-7-8-16-33(31)27-35)52-49(51-47)36-29-40(46-39-20-10-12-22-44(39)54-45(46)30-36)34-25-26-43-41(28-34)38-19-9-11-21-42(38)53(43)37-17-5-2-6-18-37/h1-30,47H,(H,50,51,52).
What are the key properties of 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole 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 3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 154938549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).