5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

C50H31N7 — CID 169077515

IUPAC5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4cccc(-n5c6ccccc6n6c7ccccc7nc56)c4)c3cc2-n2c3ccccc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C50H31N7/c1-2-15-32(16-3-1)36-30-37-35-19-4-7-22-40(35)53(48(37)31-47(36)57-46-28-13-12-27-45(46)56-42-24-9-6-21-39(42)52-50(56)57)33-17-14-18-34(29-33)54-43-25-10-11-26-44(43)55-41-23-8-5-20-38(41)51-49(54)55/h1-31H
InChIKeyFNIWFFCCBQJVRQ-UHFFFAOYSA-N
MW729.85 g/mol
LogP11.94
Rot. Bonds4

About 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 169077515) has the molecular formula C50H31N7 and a molecular weight of 729.85 g/mol. Its IUPAC name is 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID169077515
Molecular FormulaC50H31N7
Molecular Weight729.85 g/mol
Exact Mass729.26
IUPAC Name5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4cccc(-n5c6ccccc6n6c7ccccc7nc56)c4)c3cc2-n2c3ccccc3n3c4ccccc4nc23)cc1
InChIInChI=1S/C50H31N7/c1-2-15-32(16-3-1)36-30-37-35-19-4-7-22-40(35)53(48(37)31-47(36)57-46-28-13-12-27-45(46)56-42-24-9-6-21-39(42)52-50(56)57)33-17-14-18-34(29-33)54-43-25-10-11-26-44(43)55-41-23-8-5-20-38(41)51-49(54)55/h1-31H
InChIKeyFNIWFFCCBQJVRQ-UHFFFAOYSA-N
XLogP11.94
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.85
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289282
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
5-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140932542
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene
CID 169077364
5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146626082
5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174283099
5-[3-[2-[5,6-diphenyl-3-(trideuteriomethyl)indolo[2,3-b]indol-2-yl]-6-phenyl-3-(trideuteriomethyl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 153494850
5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140932316
5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 169077352
2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenol
CID 121420257

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 169077515) is 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cc3c4ccccc4n(-c4cccc(-n5c6ccccc6n6c7ccccc7nc56)c4)c3cc2-n2c3ccccc3n3c4ccccc4nc23)cc1.
What is the InChIKey of 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is FNIWFFCCBQJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N7/c1-2-15-32(16-3-1)36-30-37-35-19-4-7-22-40(35)53(48(37)31-47(36)57-46-28-13-12-27-45(46)56-42-24-9-6-21-39(42)52-50(56)57)33-17-14-18-34(29-33)54-43-25-10-11-26-44(43)55-41-23-8-5-20-38(41)51-49(54)55/h1-31H.
What are the key properties of 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 729.85 g/mol, XLogP of 11.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 169077515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).