2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline

C54H35FN2O — CID 169073549

IUPAC2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESFc1cccc2c1c1ccccc1n2-c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C54H35FN2O/c55-47-23-13-27-51-52(47)46-18-7-8-24-48(46)57(51)50-26-10-9-25-49(50)56(40-32-28-37(29-33-40)36-14-3-1-4-15-36)41-34-30-39(31-35-41)43-20-12-22-45-44-21-11-19-42(53(44)58-54(43)45)38-16-5-2-6-17-38/h1-35H
InChIKeyJZCMPOXOIIQWOW-UHFFFAOYSA-N
MW746.89 g/mol
LogP15.29
Rot. Bonds7

About 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline

2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 169073549) has the molecular formula C54H35FN2O and a molecular weight of 746.89 g/mol. Its IUPAC name is 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID169073549
Molecular FormulaC54H35FN2O
Molecular Weight746.89 g/mol
Exact Mass746.27
IUPAC Name2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESFc1cccc2c1c1ccccc1n2-c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C54H35FN2O/c55-47-23-13-27-51-52(47)46-18-7-8-24-48(46)57(51)50-26-10-9-25-49(50)56(40-32-28-37(29-33-40)36-14-3-1-4-15-36)41-34-30-39(31-35-41)43-20-12-22-45-44-21-11-19-42(53(44)58-54(43)45)38-16-5-2-6-17-38/h1-35H
InChIKeyJZCMPOXOIIQWOW-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-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline
CID 139544676
N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 169073685
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 139545263
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline
CID 155038015
N-(2-carbazol-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502297
N-[2-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544620
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 169073509
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169073561
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544595

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 169073549) is 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline is Fc1cccc2c1c1ccccc1n2-c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is JZCMPOXOIIQWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35FN2O/c55-47-23-13-27-51-52(47)46-18-7-8-24-48(46)57(51)50-26-10-9-25-49(50)56(40-32-28-37(29-33-40)36-14-3-1-4-15-36)41-34-30-39(31-35-41)43-20-12-22-45-44-21-11-19-42(53(44)58-54(43)45)38-16-5-2-6-17-38/h1-35H.
What are the key properties of 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline?
2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline 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 2-(4-fluorocarbazol-9-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 169073549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).