N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine

C54H33FN2OS — CID 169073534

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESFc1ccc2c3ccccc3n(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cc3)c2c1
InChIInChI=1S/C54H33FN2OS/c55-36-24-30-43-42-11-2-6-17-49(42)57(50(43)32-36)48-16-5-1-10-40(48)34-20-25-37(26-21-34)56(39-29-31-53-47(33-39)45-13-4-8-19-52(45)59-53)38-27-22-35(23-28-38)41-14-9-15-46-44-12-3-7-18-51(44)58-54(41)46/h1-33H
InChIKeyLBKYVUFYRAFJNH-UHFFFAOYSA-N
MW776.94 g/mol
LogP15.99
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine (PubChem CID 169073534) has the molecular formula C54H33FN2OS and a molecular weight of 776.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
PubChem CID169073534
Molecular FormulaC54H33FN2OS
Molecular Weight776.94 g/mol
Exact Mass776.23
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESFc1ccc2c3ccccc3n(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cc3)c2c1
InChIInChI=1S/C54H33FN2OS/c55-36-24-30-43-42-11-2-6-17-49(42)57(50(43)32-36)48-16-5-1-10-40(48)34-20-25-37(26-21-34)56(39-29-31-53-47(33-39)45-13-4-8-19-52(45)59-53)38-27-22-35(23-28-38)41-14-9-15-46-44-12-3-7-18-51(44)58-54(41)46/h1-33H
InChIKeyLBKYVUFYRAFJNH-UHFFFAOYSA-N
XLogP15.99
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine (CID 169073534) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine is Fc1ccc2c3ccccc3n(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cc3)c2c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is LBKYVUFYRAFJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33FN2OS/c55-36-24-30-43-42-11-2-6-17-49(42)57(50(43)32-36)48-16-5-1-10-40(48)34-20-25-37(26-21-34)56(39-29-31-53-47(33-39)45-13-4-8-19-52(45)59-53)38-27-22-35(23-28-38)41-14-9-15-46-44-12-3-7-18-51(44)58-54(41)46/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine has a molecular weight of 776.94 g/mol, XLogP of 15.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 169073534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).