9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole

C84H54N4 — CID 143535557

IUPAC9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
SMILESC1=CCC=C(n2c(-c3cccc(-c4c5ccccc5c(-c5ccc6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c7ccccc7c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6c5)c5ccccc45)c3)nc3ccccc32)C=C1
InChIInChI=1S/C84H54N4/c1-2-4-25-59(24-3-1)88-79-41-20-15-36-74(79)85-84(88)58-23-21-22-56(52-58)82-68-32-7-9-34-70(68)83(71-35-10-8-33-69(71)82)57-46-51-72-73(53-57)81(55-44-49-61(50-45-55)87-77-39-18-13-28-64(77)65-29-14-19-40-78(65)87)67-31-6-5-30-66(67)80(72)54-42-47-60(48-43-54)86-75-37-16-11-26-62(75)63-27-12-17-38-76(63)86/h1-3,5-53H,4H2
InChIKeyXIXDANCNRVAPHH-UHFFFAOYSA-N
MW1119.38 g/mol
LogP22.54
Rot. Bonds8

About 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole

9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole (PubChem CID 143535557) has the molecular formula C84H54N4 and a molecular weight of 1119.38 g/mol. Its IUPAC name is 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
PubChem CID143535557
Molecular FormulaC84H54N4
Molecular Weight1119.38 g/mol
Exact Mass1118.43
IUPAC Name9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
SMILESC1=CCC=C(n2c(-c3cccc(-c4c5ccccc5c(-c5ccc6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c7ccccc7c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6c5)c5ccccc45)c3)nc3ccccc32)C=C1
InChIInChI=1S/C84H54N4/c1-2-4-25-59(24-3-1)88-79-41-20-15-36-74(79)85-84(88)58-23-21-22-56(52-58)82-68-32-7-9-34-70(68)83(71-35-10-8-33-69(71)82)57-46-51-72-73(53-57)81(55-44-49-61(50-45-55)87-77-39-18-13-28-64(77)65-29-14-19-40-78(65)87)67-31-6-5-30-66(67)80(72)54-42-47-60(48-43-54)86-75-37-16-11-26-62(75)63-27-12-17-38-76(63)86/h1-3,5-53H,4H2
InChIKeyXIXDANCNRVAPHH-UHFFFAOYSA-N
XLogP22.54
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.38
LogP ≤ 522.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58963335
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,5-dien-1-ylbenzimidazole
CID 146493059
3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 144924373
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[6-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]naphthalen-2-yl]-1-naphthalen-1-ylbenzimidazole;2-[6-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]naphthalen-2-yl]-1-(4-phenylphenyl)benzimidazole;2-[3-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)benzimidazole;2-[4-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)benzimidazole
CID 160943887
1-phenyl-2-[9-phenyl-10-(4-phenylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]benzimidazole
CID 130184277
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracen-9-yl]phenyl]benzimidazole
CID 169070695
1-cyclohexa-1,5-dien-1-yl-2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]benzimidazole
CID 89285985
2-[9-[(1R)-cyclohexa-2,4-dien-1-yl]-10-(4-phenylphenyl)anthracen-2-yl]-1-phenylbenzimidazole
CID 155064850

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole (CID 143535557) is 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole is C1=CCC=C(n2c(-c3cccc(-c4c5ccccc5c(-c5ccc6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c7ccccc7c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6c5)c5ccccc45)c3)nc3ccccc32)C=C1.
What is the InChIKey of 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?
The InChIKey is XIXDANCNRVAPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N4/c1-2-4-25-59(24-3-1)88-79-41-20-15-36-74(79)85-84(88)58-23-21-22-56(52-58)82-68-32-7-9-34-70(68)83(71-35-10-8-33-69(71)82)57-46-51-72-73(53-57)81(55-44-49-61(50-45-55)87-77-39-18-13-28-64(77)65-29-14-19-40-78(65)87)67-31-6-5-30-66(67)80(72)54-42-47-60(48-43-54)86-75-37-16-11-26-62(75)63-27-12-17-38-76(63)86/h1-3,5-53H,4H2.
What are the key properties of 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole has a molecular weight of 1119.38 g/mol, XLogP of 22.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 143535557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).