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

C53H30N4O2 — CID 167424160

IUPAC5-[10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5ccc6ccccc6c5c4c3)n2)cc1
InChIInChI=1S/C53H30N4O2/c1-2-13-32(14-3-1)51-54-52(35-22-24-40-39-19-9-11-21-46(39)58-48(40)30-35)56-53(55-51)36-27-42-49-37-17-7-6-12-31(37)23-25-47(49)59-50(42)45(29-36)57-43-20-10-8-18-38(43)41-26-33-15-4-5-16-34(33)28-44(41)57/h1-30H
InChIKeyWDDQIURYMOYFBP-UHFFFAOYSA-N
MW754.85 g/mol
LogP14.07
Rot. Bonds4

About 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

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 (PubChem CID 167424160) has the molecular formula C53H30N4O2 and a molecular weight of 754.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
PubChem CID167424160
Molecular FormulaC53H30N4O2
Molecular Weight754.85 g/mol
Exact Mass754.24
IUPAC Name5-[10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5ccc6ccccc6c5c4c3)n2)cc1
InChIInChI=1S/C53H30N4O2/c1-2-13-32(14-3-1)51-54-52(35-22-24-40-39-19-9-11-21-46(39)58-48(40)30-35)56-53(55-51)36-27-42-49-37-17-7-6-12-31(37)23-25-47(49)59-50(42)45(29-36)57-43-20-10-8-18-38(43)41-26-33-15-4-5-16-34(33)28-44(41)57/h1-30H
InChIKeyWDDQIURYMOYFBP-UHFFFAOYSA-N
XLogP14.07
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166495995
5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166700023
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
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 139555564
12-[2-[4,6-di(phenanthren-2-yl)-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 166700819
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole
CID 166495739
5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347585
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
12-[10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-3-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 163752249
5-[3-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348049
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-[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-[10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5ccc6ccccc6c5c4c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is WDDQIURYMOYFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4O2/c1-2-13-32(14-3-1)51-54-52(35-22-24-40-39-19-9-11-21-46(39)58-48(40)30-35)56-53(55-51)36-27-42-49-37-17-7-6-12-31(37)23-25-47(49)59-50(42)45(29-36)57-43-20-10-8-18-38(43)41-26-33-15-4-5-16-34(33)28-44(41)57/h1-30H.
What are the key properties of 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?
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 has a molecular weight of 754.85 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167424160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).