9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine

C72H44F6N4 — CID 59844902

IUPAC9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccccc7F)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6F)cc5)cc4)c4ccc(-c5ccccc5F)cc4)ccc32)c(F)c1
InChIInChI=1S/C72H44F6N4/c73-49-25-37-71(65(77)41-49)81-67-15-7-3-11-59(67)61-43-55(35-39-69(61)81)79(53-31-21-47(22-32-53)57-9-1-5-13-63(57)75)51-27-17-45(18-28-51)46-19-29-52(30-20-46)80(54-33-23-48(24-34-54)58-10-2-6-14-64(58)76)56-36-40-70-62(44-56)60-12-4-8-16-68(60)82(70)72-38-26-50(74)42-66(72)78/h1-44H
InChIKeyFJYVVBROIVAZTB-UHFFFAOYSA-N
MW1079.16 g/mol
LogP20.66
Rot. Bonds11

About 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine

9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine (PubChem CID 59844902) has the molecular formula C72H44F6N4 and a molecular weight of 1079.16 g/mol. Its IUPAC name is 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine
PubChem CID59844902
Molecular FormulaC72H44F6N4
Molecular Weight1079.16 g/mol
Exact Mass1078.35
IUPAC Name9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccccc7F)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6F)cc5)cc4)c4ccc(-c5ccccc5F)cc4)ccc32)c(F)c1
InChIInChI=1S/C72H44F6N4/c73-49-25-37-71(65(77)41-49)81-67-15-7-3-11-59(67)61-43-55(35-39-69(61)81)79(53-31-21-47(22-32-53)57-9-1-5-13-63(57)75)51-27-17-45(18-28-51)46-19-29-52(30-20-46)80(54-33-23-48(24-34-54)58-10-2-6-14-64(58)76)56-36-40-70-62(44-56)60-12-4-8-16-68(60)82(70)72-38-26-50(74)42-66(72)78/h1-44H
InChIKeyFJYVVBROIVAZTB-UHFFFAOYSA-N
XLogP20.66
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.16
LogP ≤ 520.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine with MolForge

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Related Compounds

N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844901
4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 158131422
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 59844911
N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844914
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760541
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
N,9-bis(4-fluorophenyl)-N-[4-(4-triphenylgermylphenyl)phenyl]carbazol-3-amine
CID 140704816
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine?
The IUPAC name of 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine (CID 59844902) is 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine.
What is the SMILES notation for 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine?
The canonical SMILES for 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccccc7F)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6F)cc5)cc4)c4ccc(-c5ccccc5F)cc4)ccc32)c(F)c1.
What is the InChIKey of 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine?
The InChIKey is FJYVVBROIVAZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44F6N4/c73-49-25-37-71(65(77)41-49)81-67-15-7-3-11-59(67)61-43-55(35-39-69(61)81)79(53-31-21-47(22-32-53)57-9-1-5-13-63(57)75)51-27-17-45(18-28-51)46-19-29-52(30-20-46)80(54-33-23-48(24-34-54)58-10-2-6-14-64(58)76)56-36-40-70-62(44-56)60-12-4-8-16-68(60)82(70)72-38-26-50(74)42-66(72)78/h1-44H.
What are the key properties of 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine?
9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine has a molecular weight of 1079.16 g/mol, XLogP of 20.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 59844902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).