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

C76H82N6 — CID 140932253

IUPAC5-[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
SMILESCC(C)c1cc(C(C)C)c(-c2ccc3nc4n(-c5ccc6c7ccccc7n(-c7cccc(-n8cc(-c9c(C(C)C)cccc9C(C)C)cn8)c7)c6c5)c5ccc(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)cc5n4c3c2)c(C(C)C)c1
InChIInChI=1S/C76H82N6/c1-43(2)53-33-63(47(9)10)73(64(34-53)48(11)12)51-27-31-67-71(37-51)82-72-38-52(74-65(49(13)14)35-54(44(3)4)36-66(74)50(15)16)28-32-69(72)81(76(82)78-67)58-29-30-62-61-23-17-18-26-68(61)80(70(62)40-58)57-22-19-21-56(39-57)79-42-55(41-77-79)75-59(45(5)6)24-20-25-60(75)46(7)8/h17-50H,1-16H3
InChIKeyCEIYSOGRLZFNSA-UHFFFAOYSA-N
MW1079.53 g/mol
LogP21.70
Rot. Bonds14

About 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

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 (PubChem CID 140932253) has the molecular formula C76H82N6 and a molecular weight of 1079.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID140932253
Molecular FormulaC76H82N6
Molecular Weight1079.53 g/mol
Exact Mass1078.66
IUPAC Name5-[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
SMILESCC(C)c1cc(C(C)C)c(-c2ccc3nc4n(-c5ccc6c7ccccc7n(-c7cccc(-n8cc(-c9c(C(C)C)cccc9C(C)C)cn8)c7)c6c5)c5ccc(-c6c(C(C)C)cc(C(C)C)cc6C(C)C)cc5n4c3c2)c(C(C)C)c1
InChIInChI=1S/C76H82N6/c1-43(2)53-33-63(47(9)10)73(64(34-53)48(11)12)51-27-31-67-71(37-51)82-72-38-52(74-65(49(13)14)35-54(44(3)4)36-66(74)50(15)16)28-32-69(72)81(76(82)78-67)58-29-30-62-61-23-17-18-26-68(61)80(70(62)40-58)57-22-19-21-56(39-57)79-42-55(41-77-79)75-59(45(5)6)24-20-25-60(75)46(7)8/h17-50H,1-16H3
InChIKeyCEIYSOGRLZFNSA-UHFFFAOYSA-N
XLogP21.70
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.53
LogP ≤ 521.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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]-2,9-bis[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 140932318
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-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 169077352
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
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-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923360
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene
CID 129087599
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
17-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene;4-(9-dibenzofuran-2-ylcarbazol-3-yl)-17-phenyl-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;17-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-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 158372183
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(C)C)c(-c2ccc3nc4n(-c5ccc6c7ccccc7n(-c7cccc(-n8cc(-c9c(C(C)C)cccc9C(C)C)cn8)c7)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-[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?
The InChIKey is CEIYSOGRLZFNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H82N6/c1-43(2)53-33-63(47(9)10)73(64(34-53)48(11)12)51-27-31-67-71(37-51)82-72-38-52(74-65(49(13)14)35-54(44(3)4)36-66(74)50(15)16)28-32-69(72)81(76(82)78-67)58-29-30-62-61-23-17-18-26-68(61)80(70(62)40-58)57-22-19-21-56(39-57)79-42-55(41-77-79)75-59(45(5)6)24-20-25-60(75)46(7)8/h17-50H,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 1079.53 g/mol, XLogP of 21.70, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140932253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).