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

C65H37N5O2 — CID 167348101

IUPAC5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6c7ccccc7oc6c6ccccc56)n4)ccc32)cc1
InChIInChI=1S/C65H37N5O2/c1-2-18-42(19-3-1)69-52-26-12-8-20-43(52)50-35-40(31-33-54(50)69)63-66-64(41-30-32-46-45-22-10-14-28-56(45)71-58(46)37-41)68-65(67-63)60-47-23-6-7-24-48(47)62-59(49-25-11-15-29-57(49)72-62)61(60)70-53-27-13-9-21-44(53)51-34-38-16-4-5-17-39(38)36-55(51)70/h1-37H
InChIKeyWVYVSZCJAHXYMG-UHFFFAOYSA-N
MW920.04 g/mol
LogP17.17
Rot. Bonds5

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

5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole (PubChem CID 167348101) has the molecular formula C65H37N5O2 and a molecular weight of 920.04 g/mol. Its IUPAC name is 5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
PubChem CID167348101
Molecular FormulaC65H37N5O2
Molecular Weight920.04 g/mol
Exact Mass919.29
IUPAC Name5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6c7ccccc7oc6c6ccccc56)n4)ccc32)cc1
InChIInChI=1S/C65H37N5O2/c1-2-18-42(19-3-1)69-52-26-12-8-20-43(52)50-35-40(31-33-54(50)69)63-66-64(41-30-32-46-45-22-10-14-28-56(45)71-58(46)37-41)68-65(67-63)60-47-23-6-7-24-48(47)62-59(49-25-11-15-29-57(49)72-62)61(60)70-53-27-13-9-21-44(53)51-34-38-16-4-5-17-39(38)36-55(51)70/h1-37H
InChIKeyWVYVSZCJAHXYMG-UHFFFAOYSA-N
XLogP17.17
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.04
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347943
5-[6-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]benzo[b]carbazole
CID 166699122
5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714946
3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714738
12-[3-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-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 166699540
12-[3-[4-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-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 167347908
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
5-[3-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348095
5-[5-[4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 166700233
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
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole?
The IUPAC name of 5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole (CID 167348101) is 5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole?
The canonical SMILES for 5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6c7ccccc7oc6c6ccccc56)n4)ccc32)cc1.
What is the InChIKey of 5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole?
The InChIKey is WVYVSZCJAHXYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H37N5O2/c1-2-18-42(19-3-1)69-52-26-12-8-20-43(52)50-35-40(31-33-54(50)69)63-66-64(41-30-32-46-45-22-10-14-28-56(45)71-58(46)37-41)68-65(67-63)60-47-23-6-7-24-48(47)62-59(49-25-11-15-29-57(49)72-62)61(60)70-53-27-13-9-21-44(53)51-34-38-16-4-5-17-39(38)36-55(51)70/h1-37H.
What are the key properties of 5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole?
5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole has a molecular weight of 920.04 g/mol, XLogP of 17.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole is sourced from PubChem (CID 167348101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).