9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

C63H39N3 — CID 165152012

IUPAC9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C63H39N3/c1-2-18-40(19-3-1)62-64-56(39-57(65-62)44-23-17-24-45(37-44)66-58-34-14-9-28-49(58)50-29-10-15-35-59(50)66)43-22-16-21-41(36-43)52-38-42-20-4-5-25-46(42)61-60(52)51-30-8-13-33-55(51)63(61)53-31-11-6-26-47(53)48-27-7-12-32-54(48)63/h1-39H
InChIKeyARNULDKMAWHNCH-UHFFFAOYSA-N
MW838.03 g/mol
LogP15.74
Rot. Bonds5

About 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 165152012) has the molecular formula C63H39N3 and a molecular weight of 838.03 g/mol. Its IUPAC name is 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
PubChem CID165152012
Molecular FormulaC63H39N3
Molecular Weight838.03 g/mol
Exact Mass837.31
IUPAC Name9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C63H39N3/c1-2-18-40(19-3-1)62-64-56(39-57(65-62)44-23-17-24-45(37-44)66-58-34-14-9-28-49(58)50-29-10-15-35-59(50)66)43-22-16-21-41(36-43)52-38-42-20-4-5-25-46(42)61-60(52)51-30-8-13-33-55(51)63(61)53-31-11-6-26-47(53)48-27-7-12-32-54(48)63/h1-39H
InChIKeyARNULDKMAWHNCH-UHFFFAOYSA-N
XLogP15.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.03
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165152124
9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500828
4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
CID 165152179
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 135298296
9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237278
9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 121258006
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
2-(3,5-diphenylphenyl)-4-phenyl-6-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)-1,3,5-triazine
CID 165152132
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 165152292
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 165152012) is 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-c4cc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is ARNULDKMAWHNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3/c1-2-18-40(19-3-1)62-64-56(39-57(65-62)44-23-17-24-45(37-44)66-58-34-14-9-28-49(58)50-29-10-15-35-59(50)66)43-22-16-21-41(36-43)52-38-42-20-4-5-25-46(42)61-60(52)51-30-8-13-33-55(51)63(61)53-31-11-6-26-47(53)48-27-7-12-32-54(48)63/h1-39H.
What are the key properties of 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 838.03 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-phenyl-6-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 165152012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).