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

C116H76BBr3N12O2 — CID 157180518

IUPAC6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline
SMILESBrc1c2ccccc2c(-c2cccc(-c3nc4ccccc4c4nc5ccccc5n34)c2)c2ccccc12.Brc1c2ccccc2c(-c2nc3ccccc3c3nc4ccccc4n23)c2ccccc12.Brc1ccc2cc(-c3nc4ccccc4c4nc5ccccc5n34)ccc2c1.CC1(C)OB(c2ccc3cc(-c4nc5ccccc5c5nc6ccccc6n45)ccc3c2)OC1(C)C
InChIInChI=1S/C34H20BrN3.C30H26BN3O2.C28H16BrN3.C24H14BrN3/c35-32-25-14-3-1-12-23(25)31(24-13-2-4-15-26(24)32)21-10-9-11-22(20-21)33-36-28-17-6-5-16-27(28)34-37-29-18-7-8-19-30(29)38(33)34;1-29(2)30(3,4)36-31(35-29)22-16-15-19-17-21(14-13-20(19)18-22)27-32-24-10-6-5-9-23(24)28-33-25-11-7-8-12-26(25)34(27)28;29-26-19-11-3-1-9-17(19)25(18-10-2-4-12-20(18)26)28-30-22-14-6-5-13-21(22)27-31-23-15-7-8-16-24(23)32(27)28;25-18-12-11-15-13-17(10-9-16(15)14-18)23-26-20-6-2-1-5-19(20)24-27-21-7-3-4-8-22(21)28(23)24/h1-20H;5-18H,1-4H3;1-16H;1-14H
InChIKeyAONCVKLXFDILPP-UHFFFAOYSA-N
MW1920.49 g/mol
LogP29.98
Rot. Bonds6

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

6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 157180518) has the molecular formula C116H76BBr3N12O2 and a molecular weight of 1920.49 g/mol. Its IUPAC name is 6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID157180518
Molecular FormulaC116H76BBr3N12O2
Molecular Weight1920.49 g/mol
Exact Mass1916.39
IUPAC Name6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline
SMILESBrc1c2ccccc2c(-c2cccc(-c3nc4ccccc4c4nc5ccccc5n34)c2)c2ccccc12.Brc1c2ccccc2c(-c2nc3ccccc3c3nc4ccccc4n23)c2ccccc12.Brc1ccc2cc(-c3nc4ccccc4c4nc5ccccc5n34)ccc2c1.CC1(C)OB(c2ccc3cc(-c4nc5ccccc5c5nc6ccccc6n45)ccc3c2)OC1(C)C
InChIInChI=1S/C34H20BrN3.C30H26BN3O2.C28H16BrN3.C24H14BrN3/c35-32-25-14-3-1-12-23(25)31(24-13-2-4-15-26(24)32)21-10-9-11-22(20-21)33-36-28-17-6-5-16-27(28)34-37-29-18-7-8-19-30(29)38(33)34;1-29(2)30(3,4)36-31(35-29)22-16-15-19-17-21(14-13-20(19)18-22)27-32-24-10-6-5-9-23(24)28-33-25-11-7-8-12-26(25)34(27)28;29-26-19-11-3-1-9-17(19)25(18-10-2-4-12-20(18)26)28-30-22-14-6-5-13-21(22)27-31-23-15-7-8-16-24(23)32(27)28;25-18-12-11-15-13-17(10-9-16(15)14-18)23-26-20-6-2-1-5-19(20)24-27-21-7-3-4-8-22(21)28(23)24/h1-20H;5-18H,1-4H3;1-16H;1-14H
InChIKeyAONCVKLXFDILPP-UHFFFAOYSA-N
XLogP29.98
TPSA139.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001920.49
LogP ≤ 529.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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

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Related Compounds

2-[3-[4-[4-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134513502
2-[10-[4-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-6-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134513581
1-[3-[4-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134513736
1-[3-[4-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-6-phenyl-2-pyridinyl]phenyl]-6-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134513737
24-(4-Phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
CID 142565447
13-[2-Bromo-4-[11-[2-bromo-4-[4-(2-bromophenyl)-9,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-11-yl]phenyl]-5-methyl-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-4-yl]phenyl]-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 155220308
1-[3-[4-[4-[7-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-[10-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 156449380
1-[3-[2-[4-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 156449382
1-[3-[6-[11-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]-2-phenylpyrimidin-4-yl]phenyl]-6-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 156449386
6-[2-(11-Phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(11-phenylbenzo[a]carbazol-9-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 157050024
sodium;3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-bromo-9H-fluorene;2-chloro-4,6-diphenylpyrimidine;deuterio(fluoro)methane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;hydride;methane;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 157055950
2-(4-Bromophenyl)imidazo[1,2-a]pyridine;21-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157059758

Frequently Asked Questions

What is the IUPAC name of 6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline (CID 157180518) is 6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline is Brc1c2ccccc2c(-c2cccc(-c3nc4ccccc4c4nc5ccccc5n34)c2)c2ccccc12.Brc1c2ccccc2c(-c2nc3ccccc3c3nc4ccccc4n23)c2ccccc12.Brc1ccc2cc(-c3nc4ccccc4c4nc5ccccc5n34)ccc2c1.CC1(C)OB(c2ccc3cc(-c4nc5ccccc5c5nc6ccccc6n45)ccc3c2)OC1(C)C.
What is the InChIKey of 6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is AONCVKLXFDILPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20BrN3.C30H26BN3O2.C28H16BrN3.C24H14BrN3/c35-32-25-14-3-1-12-23(25)31(24-13-2-4-15-26(24)32)21-10-9-11-22(20-21)33-36-28-17-6-5-16-27(28)34-37-29-18-7-8-19-30(29)38(33)34;1-29(2)30(3,4)36-31(35-29)22-16-15-19-17-21(14-13-20(19)18-22)27-32-24-10-6-5-9-23(24)28-33-25-11-7-8-12-26(25)34(27)28;29-26-19-11-3-1-9-17(19)25(18-10-2-4-12-20(18)26)28-30-22-14-6-5-13-21(22)27-31-23-15-7-8-16-24(23)32(27)28;25-18-12-11-15-13-17(10-9-16(15)14-18)23-26-20-6-2-1-5-19(20)24-27-21-7-3-4-8-22(21)28(23)24/h1-20H;5-18H,1-4H3;1-16H;1-14H.
What are the key properties of 6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline?
6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1920.49 g/mol, XLogP of 29.98, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-bromoanthracen-9-yl)benzimidazolo[1,2-c]quinazoline;6-[3-(10-bromoanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline;6-(6-bromonaphthalen-2-yl)benzimidazolo[1,2-c]quinazoline;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 157180518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).