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

C54H35FN2S — CID 169073741

IUPACN-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
SMILESFc1ccc2c3ccccc3n(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4)cc3)c2c1
InChIInChI=1S/C54H35FN2S/c55-40-25-34-48-47-15-7-8-20-51(47)57(52(48)35-40)44-32-30-43(31-33-44)56(41-26-21-37(22-27-41)36-11-3-1-4-12-36)42-28-23-39(24-29-42)46-17-10-19-50-49-18-9-16-45(53(49)58-54(46)50)38-13-5-2-6-14-38/h1-35H
InChIKeyADZJNSVZOZUXJL-UHFFFAOYSA-N
MW762.95 g/mol
LogP15.76
Rot. Bonds7

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

N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline (PubChem CID 169073741) has the molecular formula C54H35FN2S and a molecular weight of 762.95 g/mol. Its IUPAC name is N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
PubChem CID169073741
Molecular FormulaC54H35FN2S
Molecular Weight762.95 g/mol
Exact Mass762.25
IUPAC NameN-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
SMILESFc1ccc2c3ccccc3n(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4)cc3)c2c1
InChIInChI=1S/C54H35FN2S/c55-40-25-34-48-47-15-7-8-20-51(47)57(52(48)35-40)44-32-30-43(31-33-44)56(41-26-21-37(22-27-41)36-11-3-1-4-12-36)42-28-23-39(24-29-42)46-17-10-19-50-49-18-9-16-45(53(49)58-54(46)50)38-13-5-2-6-14-38/h1-35H
InChIKeyADZJNSVZOZUXJL-UHFFFAOYSA-N
XLogP15.76
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.95
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 150047610
N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073553
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
(Z)-but-2-ene;4-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 145021121
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3,6-difluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073755

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline?
The IUPAC name of N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline (CID 169073741) is N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline?
The canonical SMILES for N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline is Fc1ccc2c3ccccc3n(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4)cc3)c2c1.
What is the InChIKey of N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline?
The InChIKey is ADZJNSVZOZUXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35FN2S/c55-40-25-34-48-47-15-7-8-20-51(47)57(52(48)35-40)44-32-30-43(31-33-44)56(41-26-21-37(22-27-41)36-11-3-1-4-12-36)42-28-23-39(24-29-42)46-17-10-19-50-49-18-9-16-45(53(49)58-54(46)50)38-13-5-2-6-14-38/h1-35H.
What are the key properties of N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline?
N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline has a molecular weight of 762.95 g/mol, XLogP of 15.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline is sourced from PubChem (CID 169073741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).