6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole

C76H50N16 — CID 164792824

IUPAC6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCc1nc2cc3[nH]c(-c4ccc(-c5cc(-c6ccc(-c7nc8cc9[nH]c(C)nc9cc8[nH]7)cc6)c6ccc7c(-c8ccc(-c9nc%10cc%11[nH]c(C)nc%11cc%10[nH]9)cc8)cc(-c8ccc(-c9nc%10cc%11[nH]c(C)nc%11cc%10[nH]9)cc8)c8ccc5c6c87)cc4)nc3cc2[nH]1
InChIInChI=1S/C76H50N16/c1-35-77-55-27-63-64(28-56(55)78-35)86-73(85-63)43-13-5-39(6-14-43)51-25-52(40-7-15-44(16-8-40)74-87-65-29-57-58(30-66(65)88-74)80-36(2)79-57)48-23-24-50-54(42-11-19-46(20-12-42)76-91-69-33-61-62(34-70(69)92-76)84-38(4)83-61)26-53(49-22-21-47(51)71(48)72(49)50)41-9-17-45(18-10-41)75-89-67-31-59-60(32-68(67)90-75)82-37(3)81-59/h5-34H,1-4H3,(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)
InChIKeyLBACHZLLCOCNKZ-UHFFFAOYSA-N
MW1187.35 g/mol
LogP18.16
Rot. Bonds8

About 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole

6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole (PubChem CID 164792824) has the molecular formula C76H50N16 and a molecular weight of 1187.35 g/mol. Its IUPAC name is 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
PubChem CID164792824
Molecular FormulaC76H50N16
Molecular Weight1187.35 g/mol
Exact Mass1186.44
IUPAC Name6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCc1nc2cc3[nH]c(-c4ccc(-c5cc(-c6ccc(-c7nc8cc9[nH]c(C)nc9cc8[nH]7)cc6)c6ccc7c(-c8ccc(-c9nc%10cc%11[nH]c(C)nc%11cc%10[nH]9)cc8)cc(-c8ccc(-c9nc%10cc%11[nH]c(C)nc%11cc%10[nH]9)cc8)c8ccc5c6c87)cc4)nc3cc2[nH]1
InChIInChI=1S/C76H50N16/c1-35-77-55-27-63-64(28-56(55)78-35)86-73(85-63)43-13-5-39(6-14-43)51-25-52(40-7-15-44(16-8-40)74-87-65-29-57-58(30-66(65)88-74)80-36(2)79-57)48-23-24-50-54(42-11-19-46(20-12-42)76-91-69-33-61-62(34-70(69)92-76)84-38(4)83-61)26-53(49-22-21-47(51)71(48)72(49)50)41-9-17-45(18-10-41)75-89-67-31-59-60(32-68(67)90-75)82-37(3)81-59/h5-34H,1-4H3,(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)
InChIKeyLBACHZLLCOCNKZ-UHFFFAOYSA-N
XLogP18.16
TPSA229.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.35
LogP ≤ 518.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole 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

2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
2-[4-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]-1H-benzimidazole
CID 58028975
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
ethane;bis(2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole);bis(2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole)
CID 158043672
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole
CID 157210759
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
CID 164950642
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
CID 18426791
5-methyl-2-[6-[[2-[4-[6-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]benzenesulfonic acid
CID 59467402
2-methyl-6-naphthalen-1-yl-1H-benzimidazole
CID 46951477

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
The IUPAC name of 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole (CID 164792824) is 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
The canonical SMILES for 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole is Cc1nc2cc3[nH]c(-c4ccc(-c5cc(-c6ccc(-c7nc8cc9[nH]c(C)nc9cc8[nH]7)cc6)c6ccc7c(-c8ccc(-c9nc%10cc%11[nH]c(C)nc%11cc%10[nH]9)cc8)cc(-c8ccc(-c9nc%10cc%11[nH]c(C)nc%11cc%10[nH]9)cc8)c8ccc5c6c87)cc4)nc3cc2[nH]1.
What is the InChIKey of 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
The InChIKey is LBACHZLLCOCNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N16/c1-35-77-55-27-63-64(28-56(55)78-35)86-73(85-63)43-13-5-39(6-14-43)51-25-52(40-7-15-44(16-8-40)74-87-65-29-57-58(30-66(65)88-74)80-36(2)79-57)48-23-24-50-54(42-11-19-46(20-12-42)76-91-69-33-61-62(34-70(69)92-76)84-38(4)83-61)26-53(49-22-21-47(51)71(48)72(49)50)41-9-17-45(18-10-41)75-89-67-31-59-60(32-68(67)90-75)82-37(3)81-59/h5-34H,1-4H3,(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92).
What are the key properties of 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole has a molecular weight of 1187.35 g/mol, XLogP of 18.16, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 164792824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).