N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine

C54H35FN2O — CID 169073685

IUPACN-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESFc1cccc2c1c1ccccc1n2-c1cccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4oc5c(-c6ccccc6)cccc5c34)cc2)c1
InChIInChI=1S/C54H35FN2O/c55-47-25-12-27-49-52(47)45-22-7-8-26-48(45)57(49)43-21-10-19-40(35-43)37-30-32-41(33-31-37)56(42-20-9-18-39(34-42)36-14-3-1-4-15-36)50-28-13-29-51-53(50)46-24-11-23-44(54(46)58-51)38-16-5-2-6-17-38/h1-35H
InChIKeyGTENBLMKQBWUHA-UHFFFAOYSA-N
MW746.89 g/mol
LogP15.29
Rot. Bonds7

About N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine

N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 169073685) has the molecular formula C54H35FN2O and a molecular weight of 746.89 g/mol. Its IUPAC name is N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
PubChem CID169073685
Molecular FormulaC54H35FN2O
Molecular Weight746.89 g/mol
Exact Mass746.27
IUPAC NameN-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESFc1cccc2c1c1ccccc1n2-c1cccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4oc5c(-c6ccccc6)cccc5c34)cc2)c1
InChIInChI=1S/C54H35FN2O/c55-47-25-12-27-49-52(47)45-22-7-8-26-48(45)57(49)43-21-10-19-40(35-43)37-30-32-41(33-31-37)56(42-20-9-18-39(34-42)36-14-3-1-4-15-36)50-28-13-29-51-53(50)46-24-11-23-44(54(46)58-51)38-16-5-2-6-17-38/h1-35H
InChIKeyGTENBLMKQBWUHA-UHFFFAOYSA-N
XLogP15.29
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.89
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 169073509
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737568
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[2-(4-phenyldibenzofuran-1-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 157489762
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-[2-[3-[9-[3-[4-(3-phenyl-N-[2-(4-phenyldibenzofuran-1-yl)phenyl]anilino)phenyl]phenyl]carbazol-2-yl]phenyl]phenyl]aniline
CID 155398521
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398630
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N,N,9-tris(4-phenylphenyl)carbazol-3-amine
CID 159738189
2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073549
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155649265
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155398509
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 158717061
5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795776
3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805388

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine (CID 169073685) is N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine is Fc1cccc2c1c1ccccc1n2-c1cccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4oc5c(-c6ccccc6)cccc5c34)cc2)c1.
What is the InChIKey of N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is GTENBLMKQBWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35FN2O/c55-47-25-12-27-49-52(47)45-22-7-8-26-48(45)57(49)43-21-10-19-40(35-43)37-30-32-41(33-31-37)56(42-20-9-18-39(34-42)36-14-3-1-4-15-36)50-28-13-29-51-53(50)46-24-11-23-44(54(46)58-51)38-16-5-2-6-17-38/h1-35H.
What are the key properties of N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine?
N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 746.89 g/mol, XLogP of 15.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 169073685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).