9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole

C47H31N3 — CID 158403329

IUPAC9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C5)cc3)cc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C47H31N3/c1-2-13-33(14-3-1)47-48-41(32-27-25-31(26-28-32)36-21-12-16-35-29-34-15-4-5-17-37(34)46(35)36)30-42(49-47)40-20-8-11-24-45(40)50-43-22-9-6-18-38(43)39-19-7-10-23-44(39)50/h1-28,30H,29H2
InChIKeyQHOAHYOSVKJPOR-UHFFFAOYSA-N
MW637.79 g/mol
LogP11.81
Rot. Bonds5

About 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole

9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole (PubChem CID 158403329) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
PubChem CID158403329
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C5)cc3)cc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C47H31N3/c1-2-13-33(14-3-1)47-48-41(32-27-25-31(26-28-32)36-21-12-16-35-29-34-15-4-5-17-37(34)46(35)36)30-42(49-47)40-20-8-11-24-45(40)50-43-22-9-6-18-38(43)39-19-7-10-23-44(39)50/h1-28,30H,29H2
InChIKeyQHOAHYOSVKJPOR-UHFFFAOYSA-N
XLogP11.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 154618893
3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
9-[2-[6-[11-[6-(2-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151694
9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
CID 138606135
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[2-[6-(3-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[2-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165057661
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155462556
4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 163836972
9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole
CID 154603932
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
3-[9-[2-(9H-fluoren-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 126753267
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 169036842

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole (CID 158403329) is 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C5)cc3)cc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The InChIKey is QHOAHYOSVKJPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-2-13-33(14-3-1)47-48-41(32-27-25-31(26-28-32)36-21-12-16-35-29-34-15-4-5-17-37(34)46(35)36)30-42(49-47)40-20-8-11-24-45(40)50-43-22-9-6-18-38(43)39-19-7-10-23-44(39)50/h1-28,30H,29H2.
What are the key properties of 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole?
9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole has a molecular weight of 637.79 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 158403329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).