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

C61H37N5O — CID 167348086

IUPAC5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4cc5oc6ccccc6c5cc4-n4c5ccccc5c5cc6ccccc6cc54)n3)cc2)cc1
InChIInChI=1S/C61H37N5O/c1-3-15-38(16-4-1)39-27-29-40(30-28-39)59-62-60(43-31-32-54-48(34-43)45-21-9-12-24-52(45)65(54)44-19-5-2-6-20-44)64-61(63-59)51-37-58-50(47-23-11-14-26-57(47)67-58)36-56(51)66-53-25-13-10-22-46(53)49-33-41-17-7-8-18-42(41)35-55(49)66/h1-37H
InChIKeyVDRHIOQYBXKPJH-UHFFFAOYSA-N
MW856.00 g/mol
LogP15.79
Rot. Bonds6

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

5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 167348086) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID167348086
Molecular FormulaC61H37N5O
Molecular Weight856.00 g/mol
Exact Mass855.30
IUPAC Name5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4cc5oc6ccccc6c5cc4-n4c5ccccc5c5cc6ccccc6cc54)n3)cc2)cc1
InChIInChI=1S/C61H37N5O/c1-3-15-38(16-4-1)39-27-29-40(30-28-39)59-62-60(43-31-32-54-48(34-43)45-21-9-12-24-52(45)65(54)44-19-5-2-6-20-44)64-61(63-59)51-37-58-50(47-23-11-14-26-57(47)67-58)36-56(51)66-53-25-13-10-22-46(53)49-33-41-17-7-8-18-42(41)35-55(49)66/h1-37H
InChIKeyVDRHIOQYBXKPJH-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-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700154
5-[2-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347317
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347889
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043108
5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043111
12-[3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-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 166700220
12-[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-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 163792015
5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700691
12-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-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 166700834
5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166699692
5-[2-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347487

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (CID 167348086) is 5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4cc5oc6ccccc6c5cc4-n4c5ccccc5c5cc6ccccc6cc54)n3)cc2)cc1.
What is the InChIKey of 5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is VDRHIOQYBXKPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O/c1-3-15-38(16-4-1)39-27-29-40(30-28-39)59-62-60(43-31-32-54-48(34-43)45-21-9-12-24-52(45)65(54)44-19-5-2-6-20-44)64-61(63-59)51-37-58-50(47-23-11-14-26-57(47)67-58)36-56(51)66-53-25-13-10-22-46(53)49-33-41-17-7-8-18-42(41)35-55(49)66/h1-37H.
What are the key properties of 5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 167348086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).