9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole

C66H44N2 — CID 58879507

IUPAC9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1
InChIInChI=1S/C66H44N2/c1-3-16-45(17-4-1)49-20-15-21-50(40-49)53-41-52(46-18-5-2-6-19-46)42-54(43-53)62-44-51(47-30-35-55(36-31-47)67-63-26-11-7-22-58(63)59-23-8-12-27-64(59)67)34-39-57(62)48-32-37-56(38-33-48)68-65-28-13-9-24-60(65)61-25-10-14-29-66(61)68/h1-44H
InChIKeyKBEWSZVWDRWEHT-UHFFFAOYSA-N
MW865.09 g/mol
LogP17.88
Rot. Bonds8

About 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole

9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole (PubChem CID 58879507) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
PubChem CID58879507
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC Name9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1
InChIInChI=1S/C66H44N2/c1-3-16-45(17-4-1)49-20-15-21-50(40-49)53-41-52(46-18-5-2-6-19-46)42-54(43-53)62-44-51(47-30-35-55(36-31-47)67-63-26-11-7-22-58(63)59-23-8-12-27-64(59)67)34-39-57(62)48-32-37-56(38-33-48)68-65-28-13-9-24-60(65)61-25-10-14-29-66(61)68/h1-44H
InChIKeyKBEWSZVWDRWEHT-UHFFFAOYSA-N
XLogP17.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.09
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943813
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,4,6-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943784
9-[4-[3-(4-carbazol-9-ylphenyl)-4-(2,4,5-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943753
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
9-[3,4-bis(3-phenylphenyl)phenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159370962
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590375
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole (CID 58879507) is 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1.
What is the InChIKey of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is KBEWSZVWDRWEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-3-16-45(17-4-1)49-20-15-21-50(40-49)53-41-52(46-18-5-2-6-19-46)42-54(43-53)62-44-51(47-30-35-55(36-31-47)67-63-26-11-7-22-58(63)59-23-8-12-27-64(59)67)34-39-57(62)48-32-37-56(38-33-48)68-65-28-13-9-24-60(65)61-25-10-14-29-66(61)68/h1-44H.
What are the key properties of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 865.09 g/mol, XLogP of 17.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 58879507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).