5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole

C57H36N4O — CID 166699432

IUPAC5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(C3N=C(c4cccc5ccccc45)N=C(c4ccc5oc6c7ccccc7ccc6c5c4-n4c5ccccc5c5cc6ccccc6cc54)N3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-2-13-35(14-3-1)36-25-27-39(28-26-36)55-58-56(45-23-12-19-37-15-6-8-20-42(37)45)60-57(59-55)47-31-32-51-52(46-30-29-38-16-7-9-21-43(38)54(46)62-51)53(47)61-49-24-11-10-22-44(49)48-33-40-17-4-5-18-41(40)34-50(48)61/h1-34,55H,(H,58,59,60)
InChIKeyWATMLRGZTYJQMG-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.31
Rot. Bonds5

About 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole

5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole (PubChem CID 166699432) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
PubChem CID166699432
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(C3N=C(c4cccc5ccccc45)N=C(c4ccc5oc6c7ccccc7ccc6c5c4-n4c5ccccc5c5cc6ccccc6cc54)N3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-2-13-35(14-3-1)36-25-27-39(28-26-36)55-58-56(45-23-12-19-37-15-6-8-20-42(37)45)60-57(59-55)47-31-32-51-52(46-30-29-38-16-7-9-21-43(38)54(46)62-51)53(47)61-49-24-11-10-22-44(49)48-33-40-17-4-5-18-41(40)34-50(48)61/h1-34,55H,(H,58,59,60)
InChIKeyWATMLRGZTYJQMG-UHFFFAOYSA-N
XLogP14.31
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 514.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 166699900
9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole
CID 167032691
5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699268
5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166700234
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-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700494
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
6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167029607
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-[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
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
12-[3-(4-phenylphenyl)phenyl]-1-[6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 164989882

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The IUPAC name of 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole (CID 166699432) is 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The canonical SMILES for 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole is c1ccc(-c2ccc(C3N=C(c4cccc5ccccc45)N=C(c4ccc5oc6c7ccccc7ccc6c5c4-n4c5ccccc5c5cc6ccccc6cc54)N3)cc2)cc1.
What is the InChIKey of 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
The InChIKey is WATMLRGZTYJQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-2-13-35(14-3-1)36-25-27-39(28-26-36)55-58-56(45-23-12-19-37-15-6-8-20-42(37)45)60-57(59-55)47-31-32-51-52(46-30-29-38-16-7-9-21-43(38)54(46)62-51)53(47)61-49-24-11-10-22-44(49)48-33-40-17-4-5-18-41(40)34-50(48)61/h1-34,55H,(H,58,59,60).
What are the key properties of 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole?
5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole has a molecular weight of 792.94 g/mol, XLogP of 14.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole is sourced from PubChem (CID 166699432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).