1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole

C150H98N18 — CID 162061987

IUPAC1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole
SMILESC1=CC2=NC(c3ccc(-n4c(-c5ccccc5)c(-c5ccccc5)c5cc6cc(-c7ccc(-c8cn9cccnc9n8)cc7)ccc6cc54)cc3)=NC2C=C1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3cc4ccc(-c5ccc(-c6cn7cccnc7n6)cc5)cc4cc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3cccc(-c4ccncc4)n3)c3cc4ccc(-c5ccc(-c6cn7cccnc7n6)cc5)cc4cc23)cc1
InChIInChI=1S/C55H36N6.C49H32N6.C46H30N6/c1-4-13-39(14-5-1)52-47-34-44-33-42(37-21-23-38(24-22-37)49-36-59-32-12-31-56-55(59)58-49)25-26-43(44)35-51(47)60(53(52)40-15-6-2-7-16-40)46-29-27-41(28-30-46)54-57-48-19-10-11-20-50(48)61(54)45-17-8-3-9-18-45;1-3-10-34(11-4-1)46-41-29-39-28-37(32-16-18-33(19-17-32)44-31-54-27-9-26-50-49(54)53-44)20-21-38(39)30-45(41)55(47(46)35-12-5-2-6-13-35)40-24-22-36(23-25-40)48-51-42-14-7-8-15-43(42)52-48;1-3-9-34(10-4-1)44-39-28-38-27-36(31-15-17-32(18-16-31)41-30-51-26-8-23-48-46(51)50-41)19-20-37(38)29-42(39)52(45(44)35-11-5-2-6-12-35)43-14-7-13-40(49-43)33-21-24-47-25-22-33/h1-36H;1-31,42H;1-30H
InChIKeyYZYRSBQHWZCOFS-UHFFFAOYSA-N
MW2152.56 g/mol
LogP35.64
Rot. Bonds19

About 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole

1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole (PubChem CID 162061987) has the molecular formula C150H98N18 and a molecular weight of 2152.56 g/mol. Its IUPAC name is 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole.

Molecular Properties

Compound Name1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole
PubChem CID162061987
Molecular FormulaC150H98N18
Molecular Weight2152.56 g/mol
Exact Mass2150.82
IUPAC Name1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole
SMILESC1=CC2=NC(c3ccc(-n4c(-c5ccccc5)c(-c5ccccc5)c5cc6cc(-c7ccc(-c8cn9cccnc9n8)cc7)ccc6cc54)cc3)=NC2C=C1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3cc4ccc(-c5ccc(-c6cn7cccnc7n6)cc5)cc4cc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3cccc(-c4ccncc4)n3)c3cc4ccc(-c5ccc(-c6cn7cccnc7n6)cc5)cc4cc23)cc1
InChIInChI=1S/C55H36N6.C49H32N6.C46H30N6/c1-4-13-39(14-5-1)52-47-34-44-33-42(37-21-23-38(24-22-37)49-36-59-32-12-31-56-55(59)58-49)25-26-43(44)35-51(47)60(53(52)40-15-6-2-7-16-40)46-29-27-41(28-30-46)54-57-48-19-10-11-20-50(48)61(54)45-17-8-3-9-18-45;1-3-10-34(11-4-1)46-41-29-39-28-37(32-16-18-33(19-17-32)44-31-54-27-9-26-50-49(54)53-44)20-21-38(39)30-45(41)55(47(46)35-12-5-2-6-13-35)40-24-22-36(23-25-40)48-51-42-14-7-8-15-43(42)52-48;1-3-9-34(10-4-1)44-39-28-38-27-36(31-15-17-32(18-16-31)41-30-51-26-8-23-48-46(51)50-41)19-20-37(38)29-42(39)52(45(44)35-11-5-2-6-12-35)43-14-7-13-40(49-43)33-21-24-47-25-22-33/h1-36H;1-31,42H;1-30H
InChIKeyYZYRSBQHWZCOFS-UHFFFAOYSA-N
XLogP35.64
TPSA173.68 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002152.56
LogP ≤ 535.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole with MolForge

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Related Compounds

1,2-diphenyl-3,7-bis(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylbenzo[e]indol-7-yl]-1,10-phenanthroline;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole;3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-7-(6-pyridin-4-yl-2-pyridinyl)benzo[e]indole
CID 160605946
3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]naphtho[1,2-f]indole;3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,10-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-f]indole
CID 158195374
3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-6,9-dihydronaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole
CID 159940548
2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-7-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,1-e]indole
CID 58175268
15-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4-diphenyl-5-(6-pyridin-4-yl-2-pyridinyl)-5-azapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),3,7,9,11,14,16,18,20-decaene
CID 58454060
2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
CID 58556594
3-[4-(3H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenylnaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole
CID 159098605
6-[4-(2,3-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,3-diphenylbenzo[f]indole
CID 70641108
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-[3-[3-phenyl-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine;5-[2-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-2-ylpyridine
CID 161305445
1-[4-(5,8-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 177291197
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
9-phenyl-16-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-4-yl-2-pyridinyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-(6-pyridin-4-yl-2-pyridinyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 160774939

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole?
The IUPAC name of 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole (CID 162061987) is 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole.
What is the SMILES notation for 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole?
The canonical SMILES for 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole is C1=CC2=NC(c3ccc(-n4c(-c5ccccc5)c(-c5ccccc5)c5cc6cc(-c7ccc(-c8cn9cccnc9n8)cc7)ccc6cc54)cc3)=NC2C=C1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3cc4ccc(-c5ccc(-c6cn7cccnc7n6)cc5)cc4cc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3cccc(-c4ccncc4)n3)c3cc4ccc(-c5ccc(-c6cn7cccnc7n6)cc5)cc4cc23)cc1.
What is the InChIKey of 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole?
The InChIKey is YZYRSBQHWZCOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6.C49H32N6.C46H30N6/c1-4-13-39(14-5-1)52-47-34-44-33-42(37-21-23-38(24-22-37)49-36-59-32-12-31-56-55(59)58-49)25-26-43(44)35-51(47)60(53(52)40-15-6-2-7-16-40)46-29-27-41(28-30-46)54-57-48-19-10-11-20-50(48)61(54)45-17-8-3-9-18-45;1-3-10-34(11-4-1)46-41-29-39-28-37(32-16-18-33(19-17-32)44-31-54-27-9-26-50-49(54)53-44)20-21-38(39)30-45(41)55(47(46)35-12-5-2-6-13-35)40-24-22-36(23-25-40)48-51-42-14-7-8-15-43(42)52-48;1-3-9-34(10-4-1)44-39-28-38-27-36(31-15-17-32(18-16-31)41-30-51-26-8-23-48-46(51)50-41)19-20-37(38)29-42(39)52(45(44)35-11-5-2-6-12-35)43-14-7-13-40(49-43)33-21-24-47-25-22-33/h1-36H;1-31,42H;1-30H.
What are the key properties of 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole?
1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole has a molecular weight of 2152.56 g/mol, XLogP of 35.64, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3aH-benzimidazol-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenylbenzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,3-diphenyl-1-(6-pyridin-4-yl-2-pyridinyl)benzo[f]indole is sourced from PubChem (CID 162061987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).