5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole

C46H36N6 — CID 140932316

IUPAC5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCC1(C)c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc43)cc2-n2ncc(-c3ccccc3)c2C1(C)C
InChIInChI=1S/C46H36N6/c1-45(2)35-25-23-30(27-42(35)52-43(46(45,3)4)34(28-47-52)29-14-6-5-7-15-29)49-37-18-10-8-16-32(37)33-24-22-31(26-41(33)49)50-39-20-12-13-21-40(39)51-38-19-11-9-17-36(38)48-44(50)51/h5-28H,1-4H3
InChIKeyMRQUTIGRUBQHIV-UHFFFAOYSA-N
MW672.84 g/mol
LogP10.95
Rot. Bonds3

About 5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole

5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 140932316) has the molecular formula C46H36N6 and a molecular weight of 672.84 g/mol. Its IUPAC name is 5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID140932316
Molecular FormulaC46H36N6
Molecular Weight672.84 g/mol
Exact Mass672.30
IUPAC Name5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCC1(C)c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc43)cc2-n2ncc(-c3ccccc3)c2C1(C)C
InChIInChI=1S/C46H36N6/c1-45(2)35-25-23-30(27-42(35)52-43(46(45,3)4)34(28-47-52)29-14-6-5-7-15-29)49-37-18-10-8-16-32(37)33-24-22-31(26-41(33)49)50-39-20-12-13-21-40(39)51-38-19-11-9-17-36(38)48-44(50)51/h5-28H,1-4H3
InChIKeyMRQUTIGRUBQHIV-UHFFFAOYSA-N
XLogP10.95
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.84
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]-2,9-bis[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140932318
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
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
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
5-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174282892
5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 170785662
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
5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 139315832
5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146626082
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-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline
CID 170539418

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 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) is 5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole is CC1(C)c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc43)cc2-n2ncc(-c3ccccc3)c2C1(C)C.
What is the InChIKey of 5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is MRQUTIGRUBQHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N6/c1-45(2)35-25-23-30(27-42(35)52-43(46(45,3)4)34(28-47-52)29-14-6-5-7-15-29)49-37-18-10-8-16-32(37)33-24-22-31(26-41(33)49)50-39-20-12-13-21-40(39)51-38-19-11-9-17-36(38)48-44(50)51/h5-28H,1-4H3.
What are the key properties of 5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 672.84 g/mol, XLogP of 10.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140932316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).