10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole

C147H90N14OS — CID 163646400

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole
SMILESc1ccc(-c2cc(-c3ccc4c5cc6ccccc6cc5n(-c5ccccc5)c4c3)nc(-c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5ccc6nc(-c7ccc8c9c%10ccccc%10ccc9n(-c9ccccc9)c8c7)oc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5c4c3)n2)cc1
InChIInChI=1S/C53H32N4S.C52H31N5O.C42H27N5/c1-4-12-33(13-5-1)45-32-46(39-22-26-43-44-29-36-16-10-11-17-37(36)30-48(44)57(47(43)31-39)41-18-8-3-9-19-41)55-52(54-45)40-23-25-42-38(28-40)21-20-34-24-27-49-51(50(34)42)56-53(58-49)35-14-6-2-7-15-35;1-4-13-34(14-5-1)49-54-50(35-15-6-2-7-16-35)56-51(55-49)37-22-26-41-36(30-37)21-20-33-24-28-43-48(46(33)41)58-52(53-43)38-23-27-42-45(31-38)57(39-17-8-3-9-18-39)44-29-25-32-12-10-11-19-40(32)47(42)44;1-5-13-30(14-6-1)39-44-40(31-15-7-2-8-16-31)46-41(45-39)33-24-22-28-21-23-29-25-26-36-38(37(29)35(28)27-33)47(34-19-11-4-12-20-34)42(43-36)32-17-9-3-10-18-32/h1-32H;1-31H;1-27H
InChIKeyIIOUFGUTRJIJKY-UHFFFAOYSA-N
MW2100.50 g/mol
LogP37.73
Rot. Bonds15

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole (PubChem CID 163646400) has the molecular formula C147H90N14OS and a molecular weight of 2100.50 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole
PubChem CID163646400
Molecular FormulaC147H90N14OS
Molecular Weight2100.50 g/mol
Exact Mass2098.71
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole
SMILESc1ccc(-c2cc(-c3ccc4c5cc6ccccc6cc5n(-c5ccccc5)c4c3)nc(-c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5ccc6nc(-c7ccc8c9c%10ccccc%10ccc9n(-c9ccccc9)c8c7)oc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5c4c3)n2)cc1
InChIInChI=1S/C53H32N4S.C52H31N5O.C42H27N5/c1-4-12-33(13-5-1)45-32-46(39-22-26-43-44-29-36-16-10-11-17-37(36)30-48(44)57(47(43)31-39)41-18-8-3-9-19-41)55-52(54-45)40-23-25-42-38(28-40)21-20-34-24-27-49-51(50(34)42)56-53(58-49)35-14-6-2-7-15-35;1-4-13-34(14-5-1)49-54-50(35-15-6-2-7-16-35)56-51(55-49)37-22-26-41-36(30-37)21-20-33-24-28-43-48(46(33)41)58-52(53-43)38-23-27-42-45(31-38)57(39-17-8-3-9-18-39)44-29-25-32-12-10-11-19-40(32)47(42)44;1-5-13-30(14-6-1)39-44-40(31-15-7-2-8-16-31)46-41(45-39)33-24-22-28-21-23-29-25-26-36-38(37(29)35(28)27-33)47(34-19-11-4-12-20-34)42(43-36)32-17-9-3-10-18-32/h1-32H;1-31H;1-27H
InChIKeyIIOUFGUTRJIJKY-UHFFFAOYSA-N
XLogP37.73
TPSA169.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.50
LogP ≤ 537.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole (CID 163646400) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole is c1ccc(-c2cc(-c3ccc4c5cc6ccccc6cc5n(-c5ccccc5)c4c3)nc(-c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5ccc6nc(-c7ccc8c9c%10ccccc%10ccc9n(-c9ccccc9)c8c7)oc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5c4c3)n2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole?
The InChIKey is IIOUFGUTRJIJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S.C52H31N5O.C42H27N5/c1-4-12-33(13-5-1)45-32-46(39-22-26-43-44-29-36-16-10-11-17-37(36)30-48(44)57(47(43)31-39)41-18-8-3-9-19-41)55-52(54-45)40-23-25-42-38(28-40)21-20-34-24-27-49-51(50(34)42)56-53(58-49)35-14-6-2-7-15-35;1-4-13-34(14-5-1)49-54-50(35-15-6-2-7-16-35)56-51(55-49)37-22-26-41-36(30-37)21-20-33-24-28-43-48(46(33)41)58-52(53-43)38-23-27-42-45(31-38)57(39-17-8-3-9-18-39)44-29-25-32-12-10-11-19-40(32)47(42)44;1-5-13-30(14-6-1)39-44-40(31-15-7-2-8-16-31)46-41(45-39)33-24-22-28-21-23-29-25-26-36-38(37(29)35(28)27-33)47(34-19-11-4-12-20-34)42(43-36)32-17-9-3-10-18-32/h1-32H;1-31H;1-27H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole has a molecular weight of 2100.50 g/mol, XLogP of 37.73, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(5-phenylbenzo[b]carbazol-3-yl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole is sourced from PubChem (CID 163646400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).