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

C57H34N4O — CID 167043514

IUPAC5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5c(cc4-n4c6ccccc6c6cc7ccccc7cc64)oc4cc6ccccc6cc45)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H34N4O/c1-2-13-35(14-3-1)36-25-27-38(28-26-36)55-58-56(45-23-12-20-37-15-8-9-21-43(37)45)60-57(59-55)49-33-48-47-30-40-17-5-7-19-42(40)32-53(47)62-54(48)34-52(49)61-50-24-11-10-22-44(50)46-29-39-16-4-6-18-41(39)31-51(46)61/h1-34H
InChIKeyOLFUUKVHGAEFOT-UHFFFAOYSA-N
MW790.93 g/mol
LogP15.00
Rot. Bonds5

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

5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (PubChem CID 167043514) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
PubChem CID167043514
Molecular FormulaC57H34N4O
Molecular Weight790.93 g/mol
Exact Mass790.27
IUPAC Name5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5c(cc4-n4c6ccccc6c6cc7ccccc7cc64)oc4cc6ccccc6cc45)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H34N4O/c1-2-13-35(14-3-1)36-25-27-38(28-26-36)55-58-56(45-23-12-20-37-15-8-9-21-43(37)45)60-57(59-55)49-33-48-47-30-40-17-5-7-19-42(40)32-53(47)62-54(48)34-52(49)61-50-24-11-10-22-44(50)46-29-39-16-4-6-18-41(39)31-51(46)61/h1-34H
InChIKeyOLFUUKVHGAEFOT-UHFFFAOYSA-N
XLogP15.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.93
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043108
5-[2-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347317
5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 155037672
5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700691
5-[2-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347487
5-[9-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-2-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163412868
12-[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 163792015
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
12-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-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 166699783
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167348086
12-[3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 166700220

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (CID 167043514) is 5-[2-[4-naphthalen-1-yl-6-(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-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4cc5c(cc4-n4c6ccccc6c6cc7ccccc7cc64)oc4cc6ccccc6cc45)nc(-c4cccc5ccccc45)n3)cc2)cc1.
What is the InChIKey of 5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?
The InChIKey is OLFUUKVHGAEFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O/c1-2-13-35(14-3-1)36-25-27-38(28-26-36)55-58-56(45-23-12-20-37-15-8-9-21-43(37)45)60-57(59-55)49-33-48-47-30-40-17-5-7-19-42(40)32-53(47)62-54(48)34-52(49)61-50-24-11-10-22-44(50)46-29-39-16-4-6-18-41(39)31-51(46)61/h1-34H.
What are the key properties of 5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole?
5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole has a molecular weight of 790.93 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 167043514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).