6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline

C115H78BF3N6O5S — CID 158040759

IUPAC6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESCC1(C)OB(c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)OC1(C)C.O=S(=O)(Oc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1)C(F)(F)F.c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc(-c7nc8ccccc8c8nc9ccccc9n78)cc6)ccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C54H33N3.C35H21F3O3S.C26H24BN3O2/c1-2-12-37-32-41(29-23-34(37)11-1)51-43-13-3-5-15-45(43)52(46-16-6-4-14-44(46)51)42-30-28-39-31-38(26-27-40(39)33-42)35-21-24-36(25-22-35)53-55-48-18-8-7-17-47(48)54-56-49-19-9-10-20-50(49)57(53)54;36-35(37,38)42(39,40)41-28-18-17-24-20-27(16-14-25(24)21-28)34-31-11-5-3-9-29(31)33(30-10-4-6-12-32(30)34)26-15-13-22-7-1-2-8-23(22)19-26;1-25(2)26(3,4)32-27(31-25)18-15-13-17(14-16-18)23-28-20-10-6-5-9-19(20)24-29-21-11-7-8-12-22(21)30(23)24/h1-33H;1-21H;5-16H,1-4H3
InChIKeyFIICDMUIXVZILZ-UHFFFAOYSA-N
MW1723.80 g/mol
LogP29.18
Rot. Bonds10

About 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline

6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline (PubChem CID 158040759) has the molecular formula C115H78BF3N6O5S and a molecular weight of 1723.80 g/mol. Its IUPAC name is 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
PubChem CID158040759
Molecular FormulaC115H78BF3N6O5S
Molecular Weight1723.80 g/mol
Exact Mass1722.58
IUPAC Name6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESCC1(C)OB(c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)OC1(C)C.O=S(=O)(Oc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1)C(F)(F)F.c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc(-c7nc8ccccc8c8nc9ccccc9n78)cc6)ccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C54H33N3.C35H21F3O3S.C26H24BN3O2/c1-2-12-37-32-41(29-23-34(37)11-1)51-43-13-3-5-15-45(43)52(46-16-6-4-14-44(46)51)42-30-28-39-31-38(26-27-40(39)33-42)35-21-24-36(25-22-35)53-55-48-18-8-7-17-47(48)54-56-49-19-9-10-20-50(49)57(53)54;36-35(37,38)42(39,40)41-28-18-17-24-20-27(16-14-25(24)21-28)34-31-11-5-3-9-29(31)33(30-10-4-6-12-32(30)34)26-15-13-22-7-1-2-8-23(22)19-26;1-25(2)26(3,4)32-27(31-25)18-15-13-17(14-16-18)23-28-20-10-6-5-9-19(20)24-29-21-11-7-8-12-22(21)30(23)24/h1-33H;1-21H;5-16H,1-4H3
InChIKeyFIICDMUIXVZILZ-UHFFFAOYSA-N
XLogP29.18
TPSA122.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001723.80
LogP ≤ 529.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline 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

[6-[4-(1-Phenylbenzimidazol-2-yl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate
CID 58037848
[6-[10-[3-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl] trifluoromethanesulfonate
CID 58876104
[6-[6-(1-Phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl] trifluoromethanesulfonate
CID 58876231
[6-[4-(1-Cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate
CID 89063972
14,21-Diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-4-yl trifluoromethanesulfonate
CID 147802349
18-(6-Naphthalen-2-ylnaphthalen-2-yl)-6,11,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15(20),16,18-decaene;(6-naphthalen-2-ylnaphthalen-2-yl) trifluoromethanesulfonate;18-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,11,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15(20),16,18-decaene
CID 157063158
4-[6-[4-(1-Phenylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 157714888
(4-Carbazol-9-ylphenyl)boronic acid;2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline;[6-(4-phenylbenzo[h]quinazolin-2-yl)naphthalen-2-yl] trifluoromethanesulfonate
CID 157760001
2-[4-[6-[4-(2,6-Diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate
CID 158176296
5-(6-Naphthalen-2-ylnaphthalen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;(6-naphthalen-2-ylnaphthalen-2-yl) trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 158199975
13-[3-(4-Diphenylphosphorylphenyl)phenyl]hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;[3-(4-diphenylphosphorylphenyl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 158308389
13-[3-(4-Diphenylphosphorylphenyl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;[3-(4-diphenylphosphorylphenyl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 158625649

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline (CID 158040759) is 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline is CC1(C)OB(c2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)OC1(C)C.O=S(=O)(Oc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1)C(F)(F)F.c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc(-c7nc8ccccc8c8nc9ccccc9n78)cc6)ccc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is FIICDMUIXVZILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3.C35H21F3O3S.C26H24BN3O2/c1-2-12-37-32-41(29-23-34(37)11-1)51-43-13-3-5-15-45(43)52(46-16-6-4-14-44(46)51)42-30-28-39-31-38(26-27-40(39)33-42)35-21-24-36(25-22-35)53-55-48-18-8-7-17-47(48)54-56-49-19-9-10-20-50(49)57(53)54;36-35(37,38)42(39,40)41-28-18-17-24-20-27(16-14-25(24)21-28)34-31-11-5-3-9-29(31)33(30-10-4-6-12-32(30)34)26-15-13-22-7-1-2-8-23(22)19-26;1-25(2)26(3,4)32-27(31-25)18-15-13-17(14-16-18)23-28-20-10-6-5-9-19(20)24-29-21-11-7-8-12-22(21)30(23)24/h1-33H;1-21H;5-16H,1-4H3.
What are the key properties of 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1723.80 g/mol, XLogP of 29.18, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]benzimidazolo[1,2-c]quinazoline;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 158040759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).