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

C59H36N4O — CID 166699813

IUPAC5-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(oc6ccc7ccccc7c65)c4-n4c5ccccc5c5cc6ccccc6cc54)n3)cc2)cc1
InChIInChI=1S/C59H36N4O/c1-3-14-37(15-4-1)39-26-28-41(29-27-39)57-60-58(45-22-13-21-42(34-45)38-16-5-2-6-17-38)62-59(61-57)49-32-31-48-54-46-23-10-9-18-40(46)30-33-53(54)64-56(48)55(49)63-51-25-12-11-24-47(51)50-35-43-19-7-8-20-44(43)36-52(50)63/h1-36H
InChIKeyKEACXYMTRQMPEJ-UHFFFAOYSA-N
MW816.96 g/mol
LogP15.51
Rot. Bonds6

About 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

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 (PubChem CID 166699813) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
PubChem CID166699813
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name5-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(oc6ccc7ccccc7c65)c4-n4c5ccccc5c5cc6ccccc6cc54)n3)cc2)cc1
InChIInChI=1S/C59H36N4O/c1-3-14-37(15-4-1)39-26-28-41(29-27-39)57-60-58(45-22-13-21-42(34-45)38-16-5-2-6-17-38)62-59(61-57)49-32-31-48-54-46-23-10-9-18-40(46)30-33-53(54)64-56(48)55(49)63-51-25-12-11-24-47(51)50-35-43-19-7-8-20-44(43)36-52(50)63/h1-36H
InChIKeyKEACXYMTRQMPEJ-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

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-[9-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166699579
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-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347318
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-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
5-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 166915274
12-[2-[4-phenanthren-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-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 155378860
5-[10-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699413
12-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 167347995
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole
CID 167424215

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(oc6ccc7ccccc7c65)c4-n4c5ccccc5c5cc6ccccc6cc54)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KEACXYMTRQMPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-14-37(15-4-1)39-26-28-41(29-27-39)57-60-58(45-22-13-21-42(34-45)38-16-5-2-6-17-38)62-59(61-57)49-32-31-48-54-46-23-10-9-18-40(46)30-33-53(54)64-56(48)55(49)63-51-25-12-11-24-47(51)50-35-43-19-7-8-20-44(43)36-52(50)63/h1-36H.
What are the key properties of 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?
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 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-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole is sourced from PubChem (CID 166699813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).