9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole

C96H60FN5 — CID 59733851

IUPAC9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole
SMILESFc1c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C96H60FN5/c97-96-94(64-47-57-69(58-48-64)101-87-37-17-7-27-77(87)78-28-8-18-38-88(78)101)92(62-43-53-67(54-44-62)99-83-33-13-3-23-73(83)74-24-4-14-34-84(74)99)91(61-41-51-66(52-42-61)98-81-31-11-1-21-71(81)72-22-2-12-32-82(72)98)93(63-45-55-68(56-46-63)100-85-35-15-5-25-75(85)76-26-6-16-36-86(76)100)95(96)65-49-59-70(60-50-65)102-89-39-19-9-29-79(89)80-30-10-20-40-90(80)102/h1-60H
InChIKeyLCSXRHQZVDMPRV-UHFFFAOYSA-N
MW1302.57 g/mol
LogP25.65
Rot. Bonds10

About 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole

9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole (PubChem CID 59733851) has the molecular formula C96H60FN5 and a molecular weight of 1302.57 g/mol. Its IUPAC name is 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole
PubChem CID59733851
Molecular FormulaC96H60FN5
Molecular Weight1302.57 g/mol
Exact Mass1301.48
IUPAC Name9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole
SMILESFc1c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C96H60FN5/c97-96-94(64-47-57-69(58-48-64)101-87-37-17-7-27-77(87)78-28-8-18-38-88(78)101)92(62-43-53-67(54-44-62)99-83-33-13-3-23-73(83)74-24-4-14-34-84(74)99)91(61-41-51-66(52-42-61)98-81-31-11-1-21-71(81)72-22-2-12-32-82(72)98)93(63-45-55-68(56-46-63)100-85-35-15-5-25-75(85)76-26-6-16-36-86(76)100)95(96)65-49-59-70(60-50-65)102-89-39-19-9-29-79(89)80-30-10-20-40-90(80)102/h1-60H
InChIKeyLCSXRHQZVDMPRV-UHFFFAOYSA-N
XLogP25.65
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.57
LogP ≤ 525.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole (CID 59733851) is 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole is Fc1c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole?
The InChIKey is LCSXRHQZVDMPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60FN5/c97-96-94(64-47-57-69(58-48-64)101-87-37-17-7-27-77(87)78-28-8-18-38-88(78)101)92(62-43-53-67(54-44-62)99-83-33-13-3-23-73(83)74-24-4-14-34-84(74)99)91(61-41-51-66(52-42-61)98-81-31-11-1-21-71(81)72-22-2-12-32-82(72)98)93(63-45-55-68(56-46-63)100-85-35-15-5-25-75(85)76-26-6-16-36-86(76)100)95(96)65-49-59-70(60-50-65)102-89-39-19-9-29-79(89)80-30-10-20-40-90(80)102/h1-60H.
What are the key properties of 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole?
9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole has a molecular weight of 1302.57 g/mol, XLogP of 25.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,3,4,5-tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole is sourced from PubChem (CID 59733851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).