9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole

C73H49N5 — CID 58526903

IUPAC9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole
SMILESCC1(C)c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)ccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C73H49N5/c1-73(2)62-42-48(50-40-52(77-68-28-14-8-22-58(68)59-23-9-15-29-69(59)77)44-53(41-50)78-70-30-16-10-24-60(70)61-25-11-17-31-71(61)78)34-38-54(62)55-39-35-49(43-63(55)73)65-45-64(74-72(75-65)47-18-4-3-5-19-47)46-32-36-51(37-33-46)76-66-26-12-6-20-56(66)57-21-7-13-27-67(57)76/h3-45H,1-2H3
InChIKeyFZNXSDVGYPYRDG-UHFFFAOYSA-N
MW996.23 g/mol
LogP18.74
Rot. Bonds7

About 9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole (PubChem CID 58526903) has the molecular formula C73H49N5 and a molecular weight of 996.23 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole
PubChem CID58526903
Molecular FormulaC73H49N5
Molecular Weight996.23 g/mol
Exact Mass995.40
IUPAC Name9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole
SMILESCC1(C)c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)ccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C73H49N5/c1-73(2)62-42-48(50-40-52(77-68-28-14-8-22-58(68)59-23-9-15-29-69(59)77)44-53(41-50)78-70-30-16-10-24-60(70)61-25-11-17-31-71(61)78)34-38-54(62)55-39-35-49(43-63(55)73)65-45-64(74-72(75-65)47-18-4-3-5-19-47)46-32-36-51(37-33-46)76-66-26-12-6-20-56(66)57-21-7-13-27-67(57)76/h3-45H,1-2H3
InChIKeyFZNXSDVGYPYRDG-UHFFFAOYSA-N
XLogP18.74
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.23
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole (CID 58526903) is 9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole is CC1(C)c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)ccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole?
The InChIKey is FZNXSDVGYPYRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N5/c1-73(2)62-42-48(50-40-52(77-68-28-14-8-22-58(68)59-23-9-15-29-69(59)77)44-53(41-50)78-70-30-16-10-24-60(70)61-25-11-17-31-71(61)78)34-38-54(62)55-39-35-49(43-63(55)73)65-45-64(74-72(75-65)47-18-4-3-5-19-47)46-32-36-51(37-33-46)76-66-26-12-6-20-56(66)57-21-7-13-27-67(57)76/h3-45H,1-2H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole has a molecular weight of 996.23 g/mol, XLogP of 18.74, 7 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-[7-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole is sourced from PubChem (CID 58526903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).