7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole

C53H32N4O — CID 160548557

IUPAC7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c23)cc1
InChIInChI=1S/C53H32N4O/c1-3-13-33(14-4-1)38-28-29-44-43(32-38)48-40-20-10-9-16-35(40)27-30-45(48)57(44)46-23-11-21-41-49-42(22-12-24-47(49)58-50(41)46)53-55-51(36-17-5-2-6-18-36)54-52(56-53)39-26-25-34-15-7-8-19-37(34)31-39/h1-32H
InChIKeyQXTHJHCTBWGBOT-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

About 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole

7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole (PubChem CID 160548557) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
PubChem CID160548557
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c23)cc1
InChIInChI=1S/C53H32N4O/c1-3-13-33(14-4-1)38-28-29-44-43(32-38)48-40-20-10-9-16-35(40)27-30-45(48)57(44)46-23-11-21-41-49-42(22-12-24-47(49)58-50(41)46)53-55-51(36-17-5-2-6-18-36)54-52(56-53)39-26-25-34-15-7-8-19-37(34)31-39/h1-32H
InChIKeyQXTHJHCTBWGBOT-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole
CID 162501443
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 166495798
9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 146337911
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylbenzo[c]carbazole
CID 146491296
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole;7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole;7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylbenzo[c]carbazole;7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 163561026
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-phenylbenzo[c]carbazole
CID 146491044
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole
CID 162501390
7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 162501371
9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
CID 166495841
12-[1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 164714640
9,15-diphenyl-12-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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;9-phenyl-12-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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;11-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[a]carbazole;7-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 163795615

Frequently Asked Questions

What is the IUPAC name of 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole?
The IUPAC name of 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole (CID 160548557) is 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole.
What is the SMILES notation for 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole?
The canonical SMILES for 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c23)cc1.
What is the InChIKey of 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole?
The InChIKey is QXTHJHCTBWGBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-3-13-33(14-4-1)38-28-29-44-43(32-38)48-40-20-10-9-16-35(40)27-30-45(48)57(44)46-23-11-21-41-49-42(22-12-24-47(49)58-50(41)46)53-55-51(36-17-5-2-6-18-36)54-52(56-53)39-26-25-34-15-7-8-19-37(34)31-39/h1-32H.
What are the key properties of 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole?
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole has a molecular weight of 740.87 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole is sourced from PubChem (CID 160548557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).