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

C76H80N6 — CID 140932318

IUPAC5-[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
SMILESCC(C)c1cc(C(C)C)c(-c2ccc3nc4n(-c5ccc6c7ccccc7n(-c7ccc8c(c7)-n7ncc(-c9ccccc9)c7C(C)(C)C8(C)C)c6c5)c5ccc(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)cc5n4c3c2)c(C(C)C)c1
InChIInChI=1S/C76H80N6/c1-43(2)52-34-58(45(5)6)71(59(35-52)46(7)8)50-26-32-64-69(38-50)81-70-39-51(72-60(47(9)10)36-53(44(3)4)37-61(72)48(11)12)27-33-66(70)80(74(81)78-64)55-28-30-57-56-24-20-21-25-65(56)79(67(57)40-55)54-29-31-63-68(41-54)82-73(76(15,16)75(63,13)14)62(42-77-82)49-22-18-17-19-23-49/h17-48H,1-16H3
InChIKeySLPXLHOBJQSEKF-UHFFFAOYSA-N
MW1077.52 g/mol
LogP21.02
Rot. Bonds11

About 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

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 (PubChem CID 140932318) has the molecular formula C76H80N6 and a molecular weight of 1077.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID140932318
Molecular FormulaC76H80N6
Molecular Weight1077.52 g/mol
Exact Mass1076.64
IUPAC Name5-[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
SMILESCC(C)c1cc(C(C)C)c(-c2ccc3nc4n(-c5ccc6c7ccccc7n(-c7ccc8c(c7)-n7ncc(-c9ccccc9)c7C(C)(C)C8(C)C)c6c5)c5ccc(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)cc5n4c3c2)c(C(C)C)c1
InChIInChI=1S/C76H80N6/c1-43(2)52-34-58(45(5)6)71(59(35-52)46(7)8)50-26-32-64-69(38-50)81-70-39-51(72-60(47(9)10)36-53(44(3)4)37-61(72)48(11)12)27-33-66(70)80(74(81)78-64)55-28-30-57-56-24-20-21-25-65(56)79(67(57)40-55)54-29-31-63-68(41-54)82-73(76(15,16)75(63,13)14)62(42-77-82)49-22-18-17-19-23-49/h17-48H,1-16H3
InChIKeySLPXLHOBJQSEKF-UHFFFAOYSA-N
XLogP21.02
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.52
LogP ≤ 521.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[9-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazol-2-yl]-2,9-bis[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140932253
CID 159520218
CID 159520218
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
5-[4-carbazol-9-yl-3-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-2-methyl-6-phenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403626
2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923360
2-[4,6-di(carbazol-9-yl)-3-(7,11-diphenyl-11H-indolo[1,2-a]benzimidazol-3-yl)-2-methylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167404005
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-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174282892
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
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]-2,9-bis[2,4,6-tri(propan-2-yl)phenyl]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]-2,9-bis[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole (CID 140932318) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(C)C)c(-c2ccc3nc4n(-c5ccc6c7ccccc7n(-c7ccc8c(c7)-n7ncc(-c9ccccc9)c7C(C)(C)C8(C)C)c6c5)c5ccc(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)cc5n4c3c2)c(C(C)C)c1.
What is the InChIKey of 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?
The InChIKey is SLPXLHOBJQSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H80N6/c1-43(2)52-34-58(45(5)6)71(59(35-52)46(7)8)50-26-32-64-69(38-50)81-70-39-51(72-60(47(9)10)36-53(44(3)4)37-61(72)48(11)12)27-33-66(70)80(74(81)78-64)55-28-30-57-56-24-20-21-25-65(56)79(67(57)40-55)54-29-31-63-68(41-54)82-73(76(15,16)75(63,13)14)62(42-77-82)49-22-18-17-19-23-49/h17-48H,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 1077.52 g/mol, XLogP of 21.02, 11 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]-2,9-bis[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140932318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).