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

C65H39FN4 — CID 121276709

IUPAC3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc1-2
InChIInChI=1S/C65H39FN4/c66-44-30-32-49-48-31-27-43(37-56(48)65(57(49)38-44)54-23-11-7-19-46(54)47-20-8-12-24-55(47)65)59-39-58(40-15-3-1-4-16-40)67-64(68-59)70-61-26-14-10-22-51(61)53-36-42(29-34-63(53)70)41-28-33-62-52(35-41)50-21-9-13-25-60(50)69(62)45-17-5-2-6-18-45/h1-39H
InChIKeyKZZGAGYXYWXEGB-UHFFFAOYSA-N
MW895.05 g/mol
LogP16.15
Rot. Bonds5

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

3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 121276709) has the molecular formula C65H39FN4 and a molecular weight of 895.05 g/mol. Its IUPAC name is 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID121276709
Molecular FormulaC65H39FN4
Molecular Weight895.05 g/mol
Exact Mass894.32
IUPAC Name3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc1-2
InChIInChI=1S/C65H39FN4/c66-44-30-32-49-48-31-27-43(37-56(48)65(57(49)38-44)54-23-11-7-19-46(54)47-20-8-12-24-55(47)65)59-39-58(40-15-3-1-4-16-40)67-64(68-59)70-61-26-14-10-22-51(61)53-36-42(29-34-63(53)70)41-28-33-62-52(35-41)50-21-9-13-25-60(50)69(62)45-17-5-2-6-18-45/h1-39H
InChIKeyKZZGAGYXYWXEGB-UHFFFAOYSA-N
XLogP16.15
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.05
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 118231877
10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 118231882
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 159371492
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole
CID 153483840
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 90226957
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 121276709) is 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole is Fc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc1-2.
What is the InChIKey of 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is KZZGAGYXYWXEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39FN4/c66-44-30-32-49-48-31-27-43(37-56(48)65(57(49)38-44)54-23-11-7-19-46(54)47-20-8-12-24-55(47)65)59-39-58(40-15-3-1-4-16-40)67-64(68-59)70-61-26-14-10-22-51(61)53-36-42(29-34-63(53)70)41-28-33-62-52(35-41)50-21-9-13-25-60(50)69(62)45-17-5-2-6-18-45/h1-39H.
What are the key properties of 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 895.05 g/mol, XLogP of 16.15, 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'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).