4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole

C93H57F3N4 — CID 121401743

IUPAC4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)cc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C93H57F3N4/c94-93(95,96)64-50-47-59(48-51-64)58-43-45-61(46-44-58)79-55-63(56-80-69-26-8-7-21-60(69)49-52-70(79)80)62-53-67(99-83-37-15-11-29-77(83)91-73(33-19-41-87(91)99)71-31-17-39-85-89(71)75-27-9-13-35-81(75)97(85)65-22-3-1-4-23-65)57-68(54-62)100-84-38-16-12-30-78(84)92-74(34-20-42-88(92)100)72-32-18-40-86-90(72)76-28-10-14-36-82(76)98(86)66-24-5-2-6-25-66/h1-57H
InChIKeyNHSIFTVKSFMKTC-UHFFFAOYSA-N
MW1287.50 g/mol
LogP25.74
Rot. Bonds9

About 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole

4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole (PubChem CID 121401743) has the molecular formula C93H57F3N4 and a molecular weight of 1287.50 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole
PubChem CID121401743
Molecular FormulaC93H57F3N4
Molecular Weight1287.50 g/mol
Exact Mass1286.45
IUPAC Name4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)cc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C93H57F3N4/c94-93(95,96)64-50-47-59(48-51-64)58-43-45-61(46-44-58)79-55-63(56-80-69-26-8-7-21-60(69)49-52-70(79)80)62-53-67(99-83-37-15-11-29-77(83)91-73(33-19-41-87(91)99)71-31-17-39-85-89(71)75-27-9-13-35-81(75)97(85)65-22-3-1-4-23-65)57-68(54-62)100-84-38-16-12-30-78(84)92-74(34-20-42-88(92)100)72-32-18-40-86-90(72)76-28-10-14-36-82(76)98(86)66-24-5-2-6-25-66/h1-57H
InChIKeyNHSIFTVKSFMKTC-UHFFFAOYSA-N
XLogP25.74
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001287.50
LogP ≤ 525.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole?
The IUPAC name of 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole (CID 121401743) is 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole.
What is the SMILES notation for 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole?
The canonical SMILES for 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole is FC(F)(F)c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)cc4c3ccc3ccccc34)cc2)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole?
The InChIKey is NHSIFTVKSFMKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H57F3N4/c94-93(95,96)64-50-47-59(48-51-64)58-43-45-61(46-44-58)79-55-63(56-80-69-26-8-7-21-60(69)49-52-70(79)80)62-53-67(99-83-37-15-11-29-77(83)91-73(33-19-41-87(91)99)71-31-17-39-85-89(71)75-27-9-13-35-81(75)97(85)65-22-3-1-4-23-65)57-68(54-62)100-84-38-16-12-30-78(84)92-74(34-20-42-88(92)100)72-32-18-40-86-90(72)76-28-10-14-36-82(76)98(86)66-24-5-2-6-25-66/h1-57H.
What are the key properties of 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole?
4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole has a molecular weight of 1287.50 g/mol, XLogP of 25.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-4-yl)-9-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-5-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]phenanthren-3-yl]phenyl]carbazole is sourced from PubChem (CID 121401743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).