4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C45H27N5 — CID 162484018

IUPAC4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-n2c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-n5c4nc4ccccc45)cc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C45H27N5/c1-2-13-29(14-3-1)48-40-26-25-28(27-41(40)50-39-24-11-8-21-36(39)47-44(48)50)30-16-12-19-34-42(30)31-15-4-5-17-32(31)45(34)33-18-6-9-22-37(33)49-38-23-10-7-20-35(38)46-43(45)49/h1-27H
InChIKeyZBBYNBVKLZAJIZ-UHFFFAOYSA-N
MW637.75 g/mol
LogP10.11
Rot. Bonds2

About 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 162484018) has the molecular formula C45H27N5 and a molecular weight of 637.75 g/mol. Its IUPAC name is 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

Compound Name4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
PubChem CID162484018
Molecular FormulaC45H27N5
Molecular Weight637.75 g/mol
Exact Mass637.23
IUPAC Name4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-n2c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-n5c4nc4ccccc45)cc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C45H27N5/c1-2-13-29(14-3-1)48-40-26-25-28(27-41(40)50-39-24-11-8-21-36(39)47-44(48)50)30-16-12-19-34-42(30)31-15-4-5-17-32(31)45(34)33-18-6-9-22-37(33)49-38-23-10-7-20-35(38)46-43(45)49/h1-27H
InChIKeyZBBYNBVKLZAJIZ-UHFFFAOYSA-N
XLogP10.11
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.75
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607171
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607174
5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766508
2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606984
2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
CID 157068240
15-phenyl-4'-(9-phenylcarbazol-3-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262721
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766526
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
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
CID 146495716
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
2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606955

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The IUPAC name of 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 162484018) is 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].
What is the SMILES notation for 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The canonical SMILES for 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is c1ccc(-n2c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-n5c4nc4ccccc45)cc3n3c4ccccc4nc23)cc1.
What is the InChIKey of 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The InChIKey is ZBBYNBVKLZAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5/c1-2-13-29(14-3-1)48-40-26-25-28(27-41(40)50-39-24-11-8-21-36(39)47-44(48)50)30-16-12-19-34-42(30)31-15-4-5-17-32(31)45(34)33-18-6-9-22-37(33)49-38-23-10-7-20-35(38)46-43(45)49/h1-27H.
What are the key properties of 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] has a molecular weight of 637.75 g/mol, XLogP of 10.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 162484018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).