3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole

C55H37FN4 — CID 121276694

IUPAC3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(F)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc21
InChIInChI=1S/C55H37FN4/c1-55(2)46-30-37(22-25-40(46)41-27-24-38(56)32-47(41)55)49-33-48(34-13-5-3-6-14-34)57-54(58-49)60-51-20-12-9-17-42(51)44-26-21-36(31-53(44)60)35-23-28-52-45(29-35)43-18-10-11-19-50(43)59(52)39-15-7-4-8-16-39/h3-33H,1-2H3
InChIKeyDAUPZNNDKRGXHO-UHFFFAOYSA-N
MW772.93 g/mol
LogP14.12
Rot. Bonds5

About 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276694) has the molecular formula C55H37FN4 and a molecular weight of 772.93 g/mol. Its IUPAC name is 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID121276694
Molecular FormulaC55H37FN4
Molecular Weight772.93 g/mol
Exact Mass772.30
IUPAC Name3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(F)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc21
InChIInChI=1S/C55H37FN4/c1-55(2)46-30-37(22-25-40(46)41-27-24-38(56)32-47(41)55)49-33-48(34-13-5-3-6-14-34)57-54(58-49)60-51-20-12-9-17-42(51)44-26-21-36(31-53(44)60)35-23-28-52-45(29-35)43-18-10-11-19-50(43)59(52)39-15-7-4-8-16-39/h3-33H,1-2H3
InChIKeyDAUPZNNDKRGXHO-UHFFFAOYSA-N
XLogP14.12
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.93
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 121276694) is 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole is CC1(C)c2cc(F)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc21.
What is the InChIKey of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is DAUPZNNDKRGXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37FN4/c1-55(2)46-30-37(22-25-40(46)41-27-24-38(56)32-47(41)55)49-33-48(34-13-5-3-6-14-34)57-54(58-49)60-51-20-12-9-17-42(51)44-26-21-36(31-53(44)60)35-23-28-52-45(29-35)43-18-10-11-19-50(43)59(52)39-15-7-4-8-16-39/h3-33H,1-2H3.
What are the key properties of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 772.93 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).