9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole

C77H49N5 — CID 58526990

IUPAC9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)c1
InChIInChI=1S/C77H49N5/c1-9-28-70-60(20-1)61-21-2-10-29-71(61)79(70)56-40-36-50(37-41-56)52-18-17-19-53(44-52)54-47-68(51-38-42-57(43-39-51)80-72-30-11-3-22-62(72)63-23-4-12-31-73(63)80)78-69(48-54)55-45-58(81-74-32-13-5-24-64(74)65-25-6-14-33-75(65)81)49-59(46-55)82-76-34-15-7-26-66(76)67-27-8-16-35-77(67)82/h1-49H
InChIKeyNJHANTOCAGHOMQ-UHFFFAOYSA-N
MW1044.27 g/mol
LogP20.14
Rot. Bonds8

About 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole (PubChem CID 58526990) has the molecular formula C77H49N5 and a molecular weight of 1044.27 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole
PubChem CID58526990
Molecular FormulaC77H49N5
Molecular Weight1044.27 g/mol
Exact Mass1043.40
IUPAC Name9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)c1
InChIInChI=1S/C77H49N5/c1-9-28-70-60(20-1)61-21-2-10-29-71(61)79(70)56-40-36-50(37-41-56)52-18-17-19-53(44-52)54-47-68(51-38-42-57(43-39-51)80-72-30-11-3-22-62(72)63-23-4-12-31-73(63)80)78-69(48-54)55-45-58(81-74-32-13-5-24-64(74)65-25-6-14-33-75(65)81)49-59(46-55)82-76-34-15-7-26-66(76)67-27-8-16-35-77(67)82/h1-49H
InChIKeyNJHANTOCAGHOMQ-UHFFFAOYSA-N
XLogP20.14
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.27
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole
CID 58527010
9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole
CID 58526954
9-[4-[4-[3-[3-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole;9-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 157372045
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 58526987
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 163832529
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 161004929
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
9-[4-[3-[6-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-2-pyridinyl]phenyl]phenyl]carbazole
CID 58943592

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole (CID 58526990) is 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole is c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)c1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole?
The InChIKey is NJHANTOCAGHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H49N5/c1-9-28-70-60(20-1)61-21-2-10-29-71(61)79(70)56-40-36-50(37-41-56)52-18-17-19-53(44-52)54-47-68(51-38-42-57(43-39-51)80-72-30-11-3-22-62(72)63-23-4-12-31-73(63)80)78-69(48-54)55-45-58(81-74-32-13-5-24-64(74)65-25-6-14-33-75(65)81)49-59(46-55)82-76-34-15-7-26-66(76)67-27-8-16-35-77(67)82/h1-49H.
What are the key properties of 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole has a molecular weight of 1044.27 g/mol, XLogP of 20.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-4-[3-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 58526990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).