10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole

C52H34N4 — CID 139407345

IUPAC10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4n4c5ccc(-c6ccc7c(c6)n6c8ccccc8cc6n7-c6ccc(-c7ccccc7)cc6)cc5cc34)cc2)cc1
InChIInChI=1S/C52H34N4/c1-3-11-35(12-4-1)37-19-25-43(26-20-37)53-47-17-9-10-18-48(47)55-46-29-23-39(31-42(46)34-52(53)55)40-24-30-49-50(32-40)56-45-16-8-7-15-41(45)33-51(56)54(49)44-27-21-38(22-28-44)36-13-5-2-6-14-36/h1-34H
InChIKeyDGNLLNXSZPHEBB-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.39
Rot. Bonds5

About 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole

10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole (PubChem CID 139407345) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole
PubChem CID139407345
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4n4c5ccc(-c6ccc7c(c6)n6c8ccccc8cc6n7-c6ccc(-c7ccccc7)cc6)cc5cc34)cc2)cc1
InChIInChI=1S/C52H34N4/c1-3-11-35(12-4-1)37-19-25-43(26-20-37)53-47-17-9-10-18-48(47)55-46-29-23-39(31-42(46)34-52(53)55)40-24-30-49-50(32-40)56-45-16-8-7-15-41(45)33-51(56)54(49)44-27-21-38(22-28-44)36-13-5-2-6-14-36/h1-34H
InChIKeyDGNLLNXSZPHEBB-UHFFFAOYSA-N
XLogP13.39
TPSA18.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-a]benzimidazole
CID 139407350
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
9,19-bis(4-phenylphenyl)-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 118527718
10-[2-chloro-3-[2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazol-10-yl]phenyl]-2-(3,5-dimethylphenyl)indolo[1,2-a]benzimidazole
CID 156855224
5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 139407569
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole
CID 139407431
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-indolo[1,2-a]benzimidazol-10-ylindolo[1,2-a]benzimidazole;10-(4-naphthalen-1-ylquinazolin-2-yl)indolo[1,2-a]benzimidazole;10-(4-naphthalen-2-ylquinazolin-2-yl)indolo[1,2-a]benzimidazole;10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
CID 159420352
1,2-diphenyl-6-[2-phenyl-1-(4-phenylphenyl)indol-6-yl]indole
CID 71230374
10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
CID 139407423
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole?
The IUPAC name of 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole (CID 139407345) is 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole.
What is the SMILES notation for 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole?
The canonical SMILES for 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole is c1ccc(-c2ccc(-n3c4ccccc4n4c5ccc(-c6ccc7c(c6)n6c8ccccc8cc6n7-c6ccc(-c7ccccc7)cc6)cc5cc34)cc2)cc1.
What is the InChIKey of 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole?
The InChIKey is DGNLLNXSZPHEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-11-35(12-4-1)37-19-25-43(26-20-37)53-47-17-9-10-18-48(47)55-46-29-23-39(31-42(46)34-52(53)55)40-24-30-49-50(32-40)56-45-16-8-7-15-41(45)33-51(56)54(49)44-27-21-38(22-28-44)36-13-5-2-6-14-36/h1-34H.
What are the key properties of 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole?
10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole has a molecular weight of 714.87 g/mol, XLogP of 13.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole is sourced from PubChem (CID 139407345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).