6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole

C98H68N22 — CID 164965528

IUPAC6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCc1nc2cc3c(cc2[nH]1)N=C(c1ccc(-c2c(-c4ccc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)cc4)c(-c4ccc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)cc4)c(-c4ccc(C5=Nc6cc7[nH]c(C)nc7cc6C5)cc4)c(-c4ccc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)cc4)c2-c2ccc(-c4nc5cc6[nH]c(C)nc6cc5[nH]4)cc2)cc1)C3
InChIInChI=1S/C98H68N22/c1-45-99-69-33-63-31-65(111-67(63)35-71(69)101-45)51-7-11-53(12-8-51)89-91(55-15-23-59(24-16-55)95-113-81-37-73-74(38-82(81)114-95)104-47(3)103-73)93(57-19-27-61(28-20-57)97-117-85-41-77-78(42-86(85)118-97)108-49(5)107-77)90(54-13-9-52(10-14-54)66-32-64-34-70-72(36-68(64)112-66)102-46(2)100-70)94(58-21-29-62(30-22-58)98-119-87-43-79-80(44-88(87)120-98)110-50(6)109-79)92(89)56-17-25-60(26-18-56)96-115-83-39-75-76(40-84(83)116-96)106-48(4)105-75/h7-30,33-44H,31-32H2,1-6H3,(H,99,101)(H,100,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,113,114)(H,115,116)(H,117,118)(H,119,120)
InChIKeyMGINQJCSLLPOST-UHFFFAOYSA-N
MW1553.78 g/mol
LogP22.32
Rot. Bonds12

About 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole

6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole (PubChem CID 164965528) has the molecular formula C98H68N22 and a molecular weight of 1553.78 g/mol. Its IUPAC name is 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
PubChem CID164965528
Molecular FormulaC98H68N22
Molecular Weight1553.78 g/mol
Exact Mass1552.60
IUPAC Name6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCc1nc2cc3c(cc2[nH]1)N=C(c1ccc(-c2c(-c4ccc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)cc4)c(-c4ccc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)cc4)c(-c4ccc(C5=Nc6cc7[nH]c(C)nc7cc6C5)cc4)c(-c4ccc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)cc4)c2-c2ccc(-c4nc5cc6[nH]c(C)nc6cc5[nH]4)cc2)cc1)C3
InChIInChI=1S/C98H68N22/c1-45-99-69-33-63-31-65(111-67(63)35-71(69)101-45)51-7-11-53(12-8-51)89-91(55-15-23-59(24-16-55)95-113-81-37-73-74(38-82(81)114-95)104-47(3)103-73)93(57-19-27-61(28-20-57)97-117-85-41-77-78(42-86(85)118-97)108-49(5)107-77)90(54-13-9-52(10-14-54)66-32-64-34-70-72(36-68(64)112-66)102-46(2)100-70)94(58-21-29-62(30-22-58)98-119-87-43-79-80(44-88(87)120-98)110-50(6)109-79)92(89)56-17-25-60(26-18-56)96-115-83-39-75-76(40-84(83)116-96)106-48(4)105-75/h7-30,33-44H,31-32H2,1-6H3,(H,99,101)(H,100,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,113,114)(H,115,116)(H,117,118)(H,119,120)
InChIKeyMGINQJCSLLPOST-UHFFFAOYSA-N
XLogP22.32
TPSA311.52 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001553.78
LogP ≤ 522.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
The IUPAC name of 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole (CID 164965528) is 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
The canonical SMILES for 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole is Cc1nc2cc3c(cc2[nH]1)N=C(c1ccc(-c2c(-c4ccc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)cc4)c(-c4ccc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)cc4)c(-c4ccc(C5=Nc6cc7[nH]c(C)nc7cc6C5)cc4)c(-c4ccc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)cc4)c2-c2ccc(-c4nc5cc6[nH]c(C)nc6cc5[nH]4)cc2)cc1)C3.
What is the InChIKey of 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
The InChIKey is MGINQJCSLLPOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H68N22/c1-45-99-69-33-63-31-65(111-67(63)35-71(69)101-45)51-7-11-53(12-8-51)89-91(55-15-23-59(24-16-55)95-113-81-37-73-74(38-82(81)114-95)104-47(3)103-73)93(57-19-27-61(28-20-57)97-117-85-41-77-78(42-86(85)118-97)108-49(5)107-77)90(54-13-9-52(10-14-54)66-32-64-34-70-72(36-68(64)112-66)102-46(2)100-70)94(58-21-29-62(30-22-58)98-119-87-43-79-80(44-88(87)120-98)110-50(6)109-79)92(89)56-17-25-60(26-18-56)96-115-83-39-75-76(40-84(83)116-96)106-48(4)105-75/h7-30,33-44H,31-32H2,1-6H3,(H,99,101)(H,100,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,113,114)(H,115,116)(H,117,118)(H,119,120).
What are the key properties of 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole has a molecular weight of 1553.78 g/mol, XLogP of 22.32, 12 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[2,4,5-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]-3,6-bis[4-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)phenyl]phenyl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 164965528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).