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

C57H34N4O — CID 155474903

IUPAC5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C57H34N4O/c1-3-14-37-30-41(26-24-35(37)12-1)55-58-56(42-27-25-36-13-2-4-15-38(36)31-42)60-57(59-55)43-28-29-50(48(33-43)45-20-11-23-53-54(45)46-19-8-10-22-52(46)62-53)61-49-21-9-7-18-44(49)47-32-39-16-5-6-17-40(39)34-51(47)61/h1-34H
InChIKeySYLPXFFRFHPQDB-UHFFFAOYSA-N
MW790.93 g/mol
LogP15.00
Rot. Bonds5

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

5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 155474903) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
PubChem CID155474903
Molecular FormulaC57H34N4O
Molecular Weight790.93 g/mol
Exact Mass790.27
IUPAC Name5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C57H34N4O/c1-3-14-37-30-41(26-24-35(37)12-1)55-58-56(42-27-25-36-13-2-4-15-38(36)31-42)60-57(59-55)43-28-29-50(48(33-43)45-20-11-23-53-54(45)46-19-8-10-22-52(46)62-53)61-49-21-9-7-18-44(49)47-32-39-16-5-6-17-40(39)34-51(47)61/h1-34H
InChIKeySYLPXFFRFHPQDB-UHFFFAOYSA-N
XLogP15.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.93
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 167031917
5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole
CID 155474988
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155474965
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[2-naphtho[1,2-b][1]benzofuran-7-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474711
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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 155475122
5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714733
5-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714933
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
12-[3-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-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 155430239
9-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167031824
5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042478

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 155474903) is 5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is SYLPXFFRFHPQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O/c1-3-14-37-30-41(26-24-35(37)12-1)55-58-56(42-27-25-36-13-2-4-15-38(36)31-42)60-57(59-55)43-28-29-50(48(33-43)45-20-11-23-53-54(45)46-19-8-10-22-52(46)62-53)61-49-21-9-7-18-44(49)47-32-39-16-5-6-17-40(39)34-51(47)61/h1-34H.
What are the key properties of 5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 790.93 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155474903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).