6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole

C56H41N5 — CID 163929471

IUPAC6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole
SMILESCc1c2n(c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc13)C(C)(C)c1cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc1-2
InChIInChI=1S/C56H41N5/c1-36-46-34-41(37-22-26-39(27-23-37)54-57-48-18-10-12-20-51(48)59(54)43-14-6-4-7-15-43)31-33-50(46)61-53(36)45-32-30-42(35-47(45)56(61,2)3)38-24-28-40(29-25-38)55-58-49-19-11-13-21-52(49)60(55)44-16-8-5-9-17-44/h4-35H,1-3H3
InChIKeyRHMDQOCAXFPUHY-UHFFFAOYSA-N
MW783.98 g/mol
LogP14.06
Rot. Bonds6

About 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole

6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole (PubChem CID 163929471) has the molecular formula C56H41N5 and a molecular weight of 783.98 g/mol. Its IUPAC name is 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole.

Molecular Properties

Compound Name6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole
PubChem CID163929471
Molecular FormulaC56H41N5
Molecular Weight783.98 g/mol
Exact Mass783.34
IUPAC Name6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole
SMILESCc1c2n(c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc13)C(C)(C)c1cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc1-2
InChIInChI=1S/C56H41N5/c1-36-46-34-41(37-22-26-39(27-23-37)54-57-48-18-10-12-20-51(48)59(54)43-14-6-4-7-15-43)31-33-50(46)61-53(36)45-32-30-42(35-47(45)56(61,2)3)38-24-28-40(29-25-38)55-58-49-19-11-13-21-52(49)60(55)44-16-8-5-9-17-44/h4-35H,1-3H3
InChIKeyRHMDQOCAXFPUHY-UHFFFAOYSA-N
XLogP14.06
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.98
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
CID 90068469
12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2-[4-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411779
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 132521570
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1-phenylbenzimidazole
CID 118472824
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558

Frequently Asked Questions

What is the IUPAC name of 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole?
The IUPAC name of 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole (CID 163929471) is 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole.
What is the SMILES notation for 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole?
The canonical SMILES for 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole is Cc1c2n(c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc13)C(C)(C)c1cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc1-2.
What is the InChIKey of 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole?
The InChIKey is RHMDQOCAXFPUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N5/c1-36-46-34-41(37-22-26-39(27-23-37)54-57-48-18-10-12-20-51(48)59(54)43-14-6-4-7-15-43)31-33-50(46)61-53(36)45-32-30-42(35-47(45)56(61,2)3)38-24-28-40(29-25-38)55-58-49-19-11-13-21-52(49)60(55)44-16-8-5-9-17-44/h4-35H,1-3H3.
What are the key properties of 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole?
6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole has a molecular weight of 783.98 g/mol, XLogP of 14.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,11-trimethyl-2,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]isoindolo[2,1-a]indole is sourced from PubChem (CID 163929471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).