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

C61H37N5O — CID 166699199

IUPAC5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(oc6ccccc65)c4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1
InChIInChI=1S/C61H37N5O/c1-3-17-38(18-4-1)39-21-15-22-42(35-39)59-62-60(49-29-16-28-47-44-25-9-12-30-52(44)65(56(47)49)43-23-5-2-6-24-43)64-61(63-59)50-34-33-48-46-27-11-14-32-55(46)67-58(48)57(50)66-53-31-13-10-26-45(53)51-36-40-19-7-8-20-41(40)37-54(51)66/h1-37H
InChIKeyOFGXTHQADYRJII-UHFFFAOYSA-N
MW856.00 g/mol
LogP15.79
Rot. Bonds6

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

5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 166699199) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
PubChem CID166699199
Molecular FormulaC61H37N5O
Molecular Weight856.00 g/mol
Exact Mass855.30
IUPAC Name5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(oc6ccccc65)c4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1
InChIInChI=1S/C61H37N5O/c1-3-17-38(18-4-1)39-21-15-22-42(35-39)59-62-60(49-29-16-28-47-44-25-9-12-30-52(44)65(56(47)49)43-23-5-2-6-24-43)64-61(63-59)50-34-33-48-46-27-11-14-32-55(46)67-58(48)57(50)66-53-31-13-10-26-45(53)51-36-40-19-7-8-20-41(40)37-54(51)66/h1-37H
InChIKeyOFGXTHQADYRJII-UHFFFAOYSA-N
XLogP15.79
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.00
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-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 167348055
5-[2-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347487
5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347323
5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
CID 166916866
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698980
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
5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347795
5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
CID 167347968
5-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700257
5-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166699813
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621588

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole (CID 166699199) is 5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5c(oc6ccccc65)c4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1.
What is the InChIKey of 5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The InChIKey is OFGXTHQADYRJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O/c1-3-17-38(18-4-1)39-21-15-22-42(35-39)59-62-60(49-29-16-28-47-44-25-9-12-30-52(44)65(56(47)49)43-23-5-2-6-24-43)64-61(63-59)50-34-33-48-46-27-11-14-32-55(46)67-58(48)57(50)66-53-31-13-10-26-45(53)51-36-40-19-7-8-20-41(40)37-54(51)66/h1-37H.
What are the key properties of 5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole?
5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 856.00 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 166699199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).