N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine

C54H33FN2OS — CID 169073634

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESFc1ccc2c3ccccc3n(-c3cccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc6sc7ccccc7c6c5)cc4)c3)c2c1
InChIInChI=1S/C54H33FN2OS/c55-37-23-29-44-43-11-1-4-16-49(43)57(50(44)32-37)40-10-7-9-36(31-40)34-19-24-38(25-20-34)56(41-28-30-53-48(33-41)46-13-3-6-18-52(46)59-53)39-26-21-35(22-27-39)42-14-8-15-47-45-12-2-5-17-51(45)58-54(42)47/h1-33H
InChIKeyNDBZTNMTGOSNKU-UHFFFAOYSA-N
MW776.94 g/mol
LogP15.99
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine (PubChem CID 169073634) 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-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
PubChem CID169073634
Molecular FormulaC54H33FN2OS
Molecular Weight776.94 g/mol
Exact Mass776.23
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
SMILESFc1ccc2c3ccccc3n(-c3cccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc6sc7ccccc7c6c5)cc4)c3)c2c1
InChIInChI=1S/C54H33FN2OS/c55-37-23-29-44-43-11-1-4-16-49(43)57(50(44)32-37)40-10-7-9-36(31-40)34-19-24-38(25-20-34)56(41-28-30-53-48(33-41)46-13-3-6-18-52(46)59-53)39-26-21-35(22-27-39)42-14-8-15-47-45-12-2-5-17-51(45)58-54(42)47/h1-33H
InChIKeyNDBZTNMTGOSNKU-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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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804920
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline
CID 169073618
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 176608780
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 157147224
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 161408674
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315205
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline
CID 158408107
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine (CID 169073634) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine is Fc1ccc2c3ccccc3n(-c3cccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc6sc7ccccc7c6c5)cc4)c3)c2c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is NDBZTNMTGOSNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33FN2OS/c55-37-23-29-44-43-11-1-4-16-49(43)57(50(44)32-37)40-10-7-9-36(31-40)34-19-24-38(25-20-34)56(41-28-30-53-48(33-41)46-13-3-6-18-52(46)59-53)39-26-21-35(22-27-39)42-14-8-15-47-45-12-2-5-17-51(45)58-54(42)47/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(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-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 169073634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).