5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole

C59H36N4O — CID 170253427

IUPAC5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc(-c7ccc(-n8c9ccccc9c9cc%10ccccc%10cc98)cc7)ccc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C59H36N4O/c1-3-14-38(15-4-1)57-60-58(39-16-5-2-6-17-39)62-59(61-57)49-33-32-46(44-20-9-10-21-45(44)49)48-23-13-25-54-56(48)50-31-28-42(36-55(50)64-54)37-26-29-43(30-27-37)63-52-24-12-11-22-47(52)51-34-40-18-7-8-19-41(40)35-53(51)63/h1-36H
InChIKeyNVDOQXPENJVMFL-UHFFFAOYSA-N
MW816.96 g/mol
LogP15.51
Rot. Bonds6

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

5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole (PubChem CID 170253427) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole
PubChem CID170253427
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc(-c7ccc(-n8c9ccccc9c9cc%10ccccc%10cc98)cc7)ccc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C59H36N4O/c1-3-14-38(15-4-1)57-60-58(39-16-5-2-6-17-39)62-59(61-57)49-33-32-46(44-20-9-10-21-45(44)49)48-23-13-25-54-56(48)50-31-28-42(36-55(50)64-54)37-26-29-43(30-27-37)63-52-24-12-11-22-47(52)51-34-40-18-7-8-19-41(40)35-53(51)63/h1-36H
InChIKeyNVDOQXPENJVMFL-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-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431004
5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431025
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155431014
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163645340
2-(4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 161127098
5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
4-[2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 170193088
2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 165375370

Frequently Asked Questions

What is the IUPAC name of 5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole (CID 170253427) is 5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc(-c7ccc(-n8c9ccccc9c9cc%10ccccc%10cc98)cc7)ccc6c45)c4ccccc34)n2)cc1.
What is the InChIKey of 5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole?
The InChIKey is NVDOQXPENJVMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-14-38(15-4-1)57-60-58(39-16-5-2-6-17-39)62-59(61-57)49-33-32-46(44-20-9-10-21-45(44)49)48-23-13-25-54-56(48)50-31-28-42(36-55(50)64-54)37-26-29-43(30-27-37)63-52-24-12-11-22-47(52)51-34-40-18-7-8-19-41(40)35-53(51)63/h1-36H.
What are the key properties of 5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole?
5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]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-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 170253427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).