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

C57H32N4OS — CID 155034534

IUPAC5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)sc4cc6ccccc6cc45)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2c1
InChIInChI=1S/C57H32N4OS/c1-2-12-34-25-39(22-21-33(34)11-1)55-58-56(40-23-24-51-45(28-40)43-18-8-10-20-50(43)62-51)60-57(59-55)41-30-49(54-46-27-36-14-4-6-16-38(36)31-52(46)63-53(54)32-41)61-47-19-9-7-17-42(47)44-26-35-13-3-5-15-37(35)29-48(44)61/h1-32H
InChIKeyHAMRDFCNECPPOS-UHFFFAOYSA-N
MW820.98 g/mol
LogP15.70
Rot. Bonds4

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

5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole (PubChem CID 155034534) has the molecular formula C57H32N4OS and a molecular weight of 820.98 g/mol. Its IUPAC name is 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole
PubChem CID155034534
Molecular FormulaC57H32N4OS
Molecular Weight820.98 g/mol
Exact Mass820.23
IUPAC Name5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)sc4cc6ccccc6cc45)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2c1
InChIInChI=1S/C57H32N4OS/c1-2-12-34-25-39(22-21-33(34)11-1)55-58-56(40-23-24-51-45(28-40)43-18-8-10-20-50(43)62-51)60-57(59-55)41-30-49(54-46-27-36-14-4-6-16-38(36)31-52(46)63-53(54)32-41)61-47-19-9-7-17-42(47)44-26-35-13-3-5-15-37(35)29-48(44)61/h1-32H
InChIKeyHAMRDFCNECPPOS-UHFFFAOYSA-N
XLogP15.70
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.98
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-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-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole
CID 155035134
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-[3-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347352
5-[10-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163983366
5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700326
5-[9-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzothiol-10-yl]benzo[b]carbazole
CID 155034973
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
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
CID 155034514
5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 146491412
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
5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 167031917
5-[2-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699435

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole (CID 155034534) is 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)sc4cc6ccccc6cc45)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2c1.
What is the InChIKey of 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole?
The InChIKey is HAMRDFCNECPPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4OS/c1-2-12-34-25-39(22-21-33(34)11-1)55-58-56(40-23-24-51-45(28-40)43-18-8-10-20-50(43)62-51)60-57(59-55)41-30-49(54-46-27-36-14-4-6-16-38(36)31-52(46)63-53(54)32-41)61-47-19-9-7-17-42(47)44-26-35-13-3-5-15-37(35)29-48(44)61/h1-32H.
What are the key properties of 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole?
5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole has a molecular weight of 820.98 g/mol, XLogP of 15.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155034534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).