9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole

C49H43N3 — CID 67678311

IUPAC9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C49H43N3/c1-3-5-30-49(31-6-4-2)42-21-13-10-18-38(42)39-29-26-36(32-43(39)49)45-33-44(50-48(51-45)35-16-8-7-9-17-35)34-24-27-37(28-25-34)52-46-22-14-11-19-40(46)41-20-12-15-23-47(41)52/h7-29,32-33H,3-6,30-31H2,1-2H3
InChIKeyDOLPWAANFKZWSD-UHFFFAOYSA-N
MW673.90 g/mol
LogP13.22
Rot. Bonds10

About 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole

9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole (PubChem CID 67678311) has the molecular formula C49H43N3 and a molecular weight of 673.90 g/mol. Its IUPAC name is 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
PubChem CID67678311
Molecular FormulaC49H43N3
Molecular Weight673.90 g/mol
Exact Mass673.35
IUPAC Name9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C49H43N3/c1-3-5-30-49(31-6-4-2)42-21-13-10-18-38(42)39-29-26-36(32-43(39)49)45-33-44(50-48(51-45)35-16-8-7-9-17-35)34-24-27-37(28-25-34)52-46-22-14-11-19-40(46)41-20-12-15-23-47(41)52/h7-29,32-33H,3-6,30-31H2,1-2H3
InChIKeyDOLPWAANFKZWSD-UHFFFAOYSA-N
XLogP13.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.90
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9,9-dibutyl-7-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389946
9-[4-[4-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[4-[4-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 159401121
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 157299718
9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole
CID 139501194
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
9-[4-(2-phenyl-6-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]carbazole
CID 139306445
9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole
CID 159972538
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126630697
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole (CID 67678311) is 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole is CCCCC1(CCCC)c2ccccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The InChIKey is DOLPWAANFKZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N3/c1-3-5-30-49(31-6-4-2)42-21-13-10-18-38(42)39-29-26-36(32-43(39)49)45-33-44(50-48(51-45)35-16-8-7-9-17-35)34-24-27-37(28-25-34)52-46-22-14-11-19-40(46)41-20-12-15-23-47(41)52/h7-29,32-33H,3-6,30-31H2,1-2H3.
What are the key properties of 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole?
9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole has a molecular weight of 673.90 g/mol, XLogP of 13.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 67678311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).