N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine

C67H46F6N4 — CID 130474653

IUPACN-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine
SMILESC=Cc1ccc(N(c2ccc(C(c3ccc(N(c4ccc(C=C)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C67H46F6N4/c1-3-45-23-31-51(32-24-45)74(55-39-41-63-59(43-55)57-19-11-13-21-61(57)76(63)49-15-7-5-8-16-49)53-35-27-47(28-36-53)65(66(68,69)70,67(71,72)73)48-29-37-54(38-30-48)75(52-33-25-46(4-2)26-34-52)56-40-42-64-60(44-56)58-20-12-14-22-62(58)77(64)50-17-9-6-10-18-50/h3-44H,1-2H2
InChIKeyQVRIYJNLMZKVCD-UHFFFAOYSA-N
MW1021.12 g/mol
LogP19.52
Rot. Bonds12

About N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine

N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine (PubChem CID 130474653) has the molecular formula C67H46F6N4 and a molecular weight of 1021.12 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine
PubChem CID130474653
Molecular FormulaC67H46F6N4
Molecular Weight1021.12 g/mol
Exact Mass1020.36
IUPAC NameN-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine
SMILESC=Cc1ccc(N(c2ccc(C(c3ccc(N(c4ccc(C=C)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C67H46F6N4/c1-3-45-23-31-51(32-24-45)74(55-39-41-63-59(43-55)57-19-11-13-21-61(57)76(63)49-15-7-5-8-16-49)53-35-27-47(28-36-53)65(66(68,69)70,67(71,72)73)48-29-37-54(38-30-48)75(52-33-25-46(4-2)26-34-52)56-40-42-64-60(44-56)58-20-12-14-22-62(58)77(64)50-17-9-6-10-18-50/h3-44H,1-2H2
InChIKeyQVRIYJNLMZKVCD-UHFFFAOYSA-N
XLogP19.52
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.12
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine (CID 130474653) is N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine is C=Cc1ccc(N(c2ccc(C(c3ccc(N(c4ccc(C=C)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is QVRIYJNLMZKVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46F6N4/c1-3-45-23-31-51(32-24-45)74(55-39-41-63-59(43-55)57-19-11-13-21-61(57)76(63)49-15-7-5-8-16-49)53-35-27-47(28-36-53)65(66(68,69)70,67(71,72)73)48-29-37-54(38-30-48)75(52-33-25-46(4-2)26-34-52)56-40-42-64-60(44-56)58-20-12-14-22-62(58)77(64)50-17-9-6-10-18-50/h3-44H,1-2H2.
What are the key properties of N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine?
N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 1021.12 g/mol, XLogP of 19.52, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-N-[4-[2-[4-(4-ethenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 130474653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).