5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole

C59H36N4O — CID 163845474

IUPAC5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6cc(-n7c8ccccc8c8cc9ccccc9cc87)c7ccccc7c6c5c4)n3)cc2)cc1
InChIInChI=1S/C59H36N4O/c1-3-13-37(14-4-1)39-23-27-41(28-24-39)57-60-58(42-29-25-40(26-30-42)38-15-5-2-6-16-38)62-59(61-57)45-31-32-54-50(34-45)56-48-21-10-9-19-46(48)53(36-55(56)64-54)63-51-22-12-11-20-47(51)49-33-43-17-7-8-18-44(43)35-52(49)63/h1-36H
InChIKeyOPTJWQLQMIRGGQ-UHFFFAOYSA-N
MW816.96 g/mol
LogP15.51
Rot. Bonds6

About 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole

5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole (PubChem CID 163845474) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
PubChem CID163845474
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6cc(-n7c8ccccc8c8cc9ccccc9cc87)c7ccccc7c6c5c4)n3)cc2)cc1
InChIInChI=1S/C59H36N4O/c1-3-13-37(14-4-1)39-23-27-41(28-24-39)57-60-58(42-29-25-40(26-30-42)38-15-5-2-6-16-38)62-59(61-57)45-31-32-54-50(34-45)56-48-21-10-9-19-46(48)53(36-55(56)64-54)63-51-22-12-11-20-47(51)49-33-43-17-7-8-18-44(43)35-52(49)63/h1-36H
InChIKeyOPTJWQLQMIRGGQ-UHFFFAOYSA-N
XLogP15.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[10-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163983366
5-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163539451
5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714946
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
5-[1-[4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714728
5-[10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167424160
11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole
CID 163853213
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-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 155474616
5-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166917850
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-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 166916089

Frequently Asked Questions

What is the IUPAC name of 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole?
The IUPAC name of 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole (CID 163845474) is 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole?
The canonical SMILES for 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6cc(-n7c8ccccc8c8cc9ccccc9cc87)c7ccccc7c6c5c4)n3)cc2)cc1.
What is the InChIKey of 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole?
The InChIKey is OPTJWQLQMIRGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-13-37(14-4-1)39-23-27-41(28-24-39)57-60-58(42-29-25-40(26-30-42)38-15-5-2-6-16-38)62-59(61-57)45-31-32-54-50(34-45)56-48-21-10-9-19-46(48)53(36-55(56)64-54)63-51-22-12-11-20-47(51)49-33-43-17-7-8-18-44(43)35-52(49)63/h1-36H.
What are the key properties of 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole?
5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole has a molecular weight of 816.96 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole is sourced from PubChem (CID 163845474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).