N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline

C60H39FN2O — CID 169073618

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline
SMILESFc1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c3)c2c1
InChIInChI=1S/C60H39FN2O/c61-45-28-36-53-52-16-7-9-20-57(52)63(58(53)38-45)49-35-37-50(42-14-5-2-6-15-42)56(39-49)44-26-33-48(34-27-44)62(46-29-22-41(23-30-46)40-12-3-1-4-13-40)47-31-24-43(25-32-47)51-18-11-19-55-54-17-8-10-21-59(54)64-60(51)55/h1-39H
InChIKeyHLJVUWDCPSEQLV-UHFFFAOYSA-N
MW822.98 g/mol
LogP16.96
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline (PubChem CID 169073618) has the molecular formula C60H39FN2O and a molecular weight of 822.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline
PubChem CID169073618
Molecular FormulaC60H39FN2O
Molecular Weight822.98 g/mol
Exact Mass822.30
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline
SMILESFc1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c3)c2c1
InChIInChI=1S/C60H39FN2O/c61-45-28-36-53-52-16-7-9-20-57(52)63(58(53)38-45)49-35-37-50(42-14-5-2-6-15-42)56(39-49)44-26-33-48(34-27-44)62(46-29-22-41(23-30-46)40-12-3-1-4-13-40)47-31-24-43(25-32-47)51-18-11-19-55-54-17-8-10-21-59(54)64-60(51)55/h1-39H
InChIKeyHLJVUWDCPSEQLV-UHFFFAOYSA-N
XLogP16.96
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.98
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 153004829
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073634
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
N-(4-carbazol-9-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804257
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)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789400

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline (CID 169073618) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline is Fc1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c3)c2c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline?
The InChIKey is HLJVUWDCPSEQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39FN2O/c61-45-28-36-53-52-16-7-9-20-57(52)63(58(53)38-45)49-35-37-50(42-14-5-2-6-15-42)56(39-49)44-26-33-48(34-27-44)62(46-29-22-41(23-30-46)40-12-3-1-4-13-40)47-31-24-43(25-32-47)51-18-11-19-55-54-17-8-10-21-59(54)64-60(51)55/h1-39H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline has a molecular weight of 822.98 g/mol, XLogP of 16.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[5-(2-fluorocarbazol-9-yl)-2-phenylphenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 169073618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).