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

C59H36N4O — CID 164714701

IUPAC5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6cc7ccccc7cc6c45)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)51-35-47(36-55-56(51)50-32-44-18-8-10-20-46(44)34-54(50)64-55)63-52-22-12-11-21-48(52)49-31-43-17-7-9-19-45(43)33-53(49)63/h1-36H
InChIKeyXEKDFJLUCCVBJA-UHFFFAOYSA-N
MW816.96 g/mol
LogP15.51
Rot. Bonds6

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

5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (PubChem CID 164714701) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
PubChem CID164714701
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6cc7ccccc7cc6c45)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)51-35-47(36-55-56(51)50-32-44-18-8-10-20-46(44)34-54(50)64-55)63-52-22-12-11-21-48(52)49-31-43-17-7-9-19-45(43)33-53(49)63/h1-36H
InChIKeyXEKDFJLUCCVBJA-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-[1-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 164714953
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 164715042
5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163915985
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 166495763
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
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 164714605
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 156554044
5-[1-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 165046087
2-(4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 161127098
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole;12-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-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;12-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-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 164960041

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (CID 164714701) is 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6cc7ccccc7cc6c45)n3)cc2)cc1.
What is the InChIKey of 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?
The InChIKey is XEKDFJLUCCVBJA-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)51-35-47(36-55-56(51)50-32-44-18-8-10-20-46(44)34-54(50)64-55)63-52-22-12-11-21-48(52)49-31-43-17-7-9-19-45(43)33-53(49)63/h1-36H.
What are the key properties of 5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-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-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 164714701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).