9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C49H30N4O — CID 146658603

IUPAC9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6c5ccc5c7ccccc7oc65)c4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C49H30N4O/c1-2-13-31(14-3-1)32-15-10-17-34(29-32)47-50-48(52-49(51-47)53-43-24-7-4-19-38(43)39-20-5-8-25-44(39)53)35-18-11-16-33(30-35)36-22-12-23-41-37(36)27-28-42-40-21-6-9-26-45(40)54-46(41)42/h1-30H
InChIKeyFCIRBNAEVIBBAF-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

About 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 146658603) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID146658603
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6c5ccc5c7ccccc7oc65)c4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C49H30N4O/c1-2-13-31(14-3-1)32-15-10-17-34(29-32)47-50-48(52-49(51-47)53-43-24-7-4-19-38(43)39-20-5-8-25-44(39)53)35-18-11-16-33(30-35)36-22-12-23-41-37(36)27-28-42-40-21-6-9-26-45(40)54-46(41)42/h1-30H
InChIKeyFCIRBNAEVIBBAF-UHFFFAOYSA-N
XLogP12.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060947
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-[4-carbazol-9-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163941415

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 146658603) is 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6c5ccc5c7ccccc7oc65)c4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is FCIRBNAEVIBBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-2-13-31(14-3-1)32-15-10-17-34(29-32)47-50-48(52-49(51-47)53-43-24-7-4-19-38(43)39-20-5-8-25-44(39)53)35-18-11-16-33(30-35)36-22-12-23-41-37(36)27-28-42-40-21-6-9-26-45(40)54-46(41)42/h1-30H.
What are the key properties of 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 690.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 146658603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).