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

C61H37N5O — CID 167347323

IUPAC5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C61H37N5O/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)59-62-60(48-26-15-25-46-44-22-9-12-27-51(44)65(57(46)48)43-20-5-2-6-21-43)64-61(63-59)49-34-35-55-56(47-24-11-14-29-54(47)67-55)58(49)66-52-28-13-10-23-45(52)50-36-41-18-7-8-19-42(41)37-53(50)66/h1-37H
InChIKeyWBKFWJXTNVSCJP-UHFFFAOYSA-N
MW856.00 g/mol
LogP15.79
Rot. Bonds6

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

5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 167347323) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID167347323
Molecular FormulaC61H37N5O
Molecular Weight856.00 g/mol
Exact Mass855.30
IUPAC Name5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C61H37N5O/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)59-62-60(48-26-15-25-46-44-22-9-12-27-51(44)65(57(46)48)43-20-5-2-6-21-43)64-61(63-59)49-34-35-55-56(47-24-11-14-29-54(47)67-55)58(49)66-52-28-13-10-23-45(52)50-36-41-18-7-8-19-42(41)37-53(50)66/h1-37H
InChIKeyWBKFWJXTNVSCJP-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

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-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347318
5-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700257
12-[1-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-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 164714868
5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699199
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700020
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621588
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347354
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-[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-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431004
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 167347323) is 5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1.
What is the InChIKey of 5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is WBKFWJXTNVSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)59-62-60(48-26-15-25-46-44-22-9-12-27-51(44)65(57(46)48)43-20-5-2-6-21-43)64-61(63-59)49-34-35-55-56(47-24-11-14-29-54(47)67-55)58(49)66-52-28-13-10-23-45(52)50-36-41-18-7-8-19-42(41)37-53(50)66/h1-37H.
What are the key properties of 5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
5-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-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-[2-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167347323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).