5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole

C55H35N5O — CID 166700065

IUPAC5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(C2N=C(c3cccc4c5ccccc5n(-c5ccccc5)c34)N=C(c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C55H35N5O/c1-3-16-34(17-4-1)53-56-54(58-55(57-53)43-26-15-25-41-39-22-9-12-27-45(39)59(52(41)43)38-20-5-2-6-21-38)37-32-48(51-42-24-11-14-29-49(42)61-50(51)33-37)60-46-28-13-10-23-40(46)44-30-35-18-7-8-19-36(35)31-47(44)60/h1-33,53H,(H,56,57,58)
InChIKeyAWEYBUUMYAXPRK-UHFFFAOYSA-N
MW781.92 g/mol
LogP13.43
Rot. Bonds5

About 5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole

5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166700065) has the molecular formula C55H35N5O and a molecular weight of 781.92 g/mol. Its IUPAC name is 5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID166700065
Molecular FormulaC55H35N5O
Molecular Weight781.92 g/mol
Exact Mass781.28
IUPAC Name5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(C2N=C(c3cccc4c5ccccc5n(-c5ccccc5)c34)N=C(c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C55H35N5O/c1-3-16-34(17-4-1)53-56-54(58-55(57-53)43-26-15-25-41-39-22-9-12-27-45(39)59(52(41)43)38-20-5-2-6-21-38)37-32-48(51-42-24-11-14-29-49(42)61-50(51)33-37)60-46-28-13-10-23-40(46)44-30-35-18-7-8-19-36(35)31-47(44)60/h1-33,53H,(H,56,57,58)
InChIKeyAWEYBUUMYAXPRK-UHFFFAOYSA-N
XLogP13.43
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.92
LogP ≤ 513.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167042967
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-(6-naphthalen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 155037880
5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 166700359
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-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700020
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
5-[3-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347704
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
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
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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 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) is 5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(C2N=C(c3cccc4c5ccccc5n(-c5ccccc5)c34)N=C(c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4c(c3)oc3ccccc34)N2)cc1.
What is the InChIKey of 5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is AWEYBUUMYAXPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5O/c1-3-16-34(17-4-1)53-56-54(58-55(57-53)43-26-15-25-41-39-22-9-12-27-45(39)59(52(41)43)38-20-5-2-6-21-38)37-32-48(51-42-24-11-14-29-49(42)61-50(51)33-37)60-46-28-13-10-23-40(46)44-30-35-18-7-8-19-36(35)31-47(44)60/h1-33,53H,(H,56,57,58).
What are the key properties of 5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole?
5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 781.92 g/mol, XLogP of 13.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166700065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).