N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine

C73H52F3N3 — CID 88591069

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4C(F)(F)F)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C73H52F3N3/c1-71(2)62-22-12-8-18-54(62)56-36-33-50(42-64(56)71)77(51-34-37-57-55-19-9-13-23-63(55)72(3,4)65(57)43-51)49-30-26-45(27-31-49)53-35-32-52(44-66(53)73(74,75)76)79-68-25-15-11-21-59(68)61-41-47(29-39-70(61)79)46-28-38-69-60(40-46)58-20-10-14-24-67(58)78(69)48-16-6-5-7-17-48/h5-44H,1-4H3
InChIKeyHUAYTKCUWAAEPP-UHFFFAOYSA-N
MW1028.23 g/mol
LogP20.32
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 88591069) has the molecular formula C73H52F3N3 and a molecular weight of 1028.23 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine
PubChem CID88591069
Molecular FormulaC73H52F3N3
Molecular Weight1028.23 g/mol
Exact Mass1027.41
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4C(F)(F)F)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C73H52F3N3/c1-71(2)62-22-12-8-18-54(62)56-36-33-50(42-64(56)71)77(51-34-37-57-55-19-9-13-23-63(55)72(3,4)65(57)43-51)49-30-26-45(27-31-49)53-35-32-52(44-66(53)73(74,75)76)79-68-25-15-11-21-59(68)61-41-47(29-39-70(61)79)46-28-38-69-60(40-46)58-20-10-14-24-67(58)78(69)48-16-6-5-7-17-48/h5-44H,1-4H3
InChIKeyHUAYTKCUWAAEPP-UHFFFAOYSA-N
XLogP20.32
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.23
LogP ≤ 520.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine (CID 88591069) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4C(F)(F)F)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is HUAYTKCUWAAEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52F3N3/c1-71(2)62-22-12-8-18-54(62)56-36-33-50(42-64(56)71)77(51-34-37-57-55-19-9-13-23-63(55)72(3,4)65(57)43-51)49-30-26-45(27-31-49)53-35-32-52(44-66(53)73(74,75)76)79-68-25-15-11-21-59(68)61-41-47(29-39-70(61)79)46-28-38-69-60(40-46)58-20-10-14-24-67(58)78(69)48-16-6-5-7-17-48/h5-44H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 1028.23 g/mol, XLogP of 20.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 88591069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).