N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

C47H30FN3S — CID 90195053

IUPACN-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=C(C=CC=N7)F)C8=CC9=C(C=C8)C1=CC=CC=C1S9
InChIInChI=1S/C47H30FN3S/c48-42-13-8-28-49-47(42)51-43-14-6-4-11-38(43)41-29-34(20-27-44(41)51)33-18-23-36(24-19-33)50(35-21-16-32(17-22-35)31-9-2-1-3-10-31)37-25-26-40-39-12-5-7-15-45(39)52-46(40)30-37/h1-30H
InChIKeyBWUCRHUYBFCXSN-UHFFFAOYSA-N
MW687.80 g/mol
LogP13.20
Rot. Bonds6

About N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 90195053) has the molecular formula C47H30FN3S and a molecular weight of 687.80 g/mol. Its IUPAC name is N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID90195053
Molecular FormulaC47H30FN3S
Molecular Weight687.80 g/mol
Exact Mass687.21
IUPAC NameN-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=C(C=CC=N7)F)C8=CC9=C(C=C8)C1=CC=CC=C1S9
InChIInChI=1S/C47H30FN3S/c48-42-13-8-28-49-47(42)51-43-14-6-4-11-38(43)41-29-34(20-27-44(41)51)33-18-23-36(24-19-33)50(35-21-16-32(17-22-35)31-9-2-1-3-10-31)37-25-26-40-39-12-5-7-15-45(39)52-46(40)30-37/h1-30H
InChIKeyBWUCRHUYBFCXSN-UHFFFAOYSA-N
XLogP13.20
TPSA49.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity1160

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.80
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole
CID 138963073
5-Methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
CID 138963071
3-[3-(Benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 86575029
2-[4-[8-(1-Benzothiophen-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 11362541
2-[4-[8-(1-Benzothiophen-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine
CID 11774988
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 23593204
3-N-methyl-7-N-(6-methyl-2-pyridinyl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
CID 23593353
2-Ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1-pyridin-2-ylindole
CID 25024652
3-[4-[8-(1-Benzothiophen-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine
CID 69156928
3-[4-[8-(1-Benzothiophen-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 69156947
N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine
CID 89296837
5-Phenyl-2-(4-phenylpyridin-2-yl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole
CID 89609856

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 90195053) is N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=C(C=CC=N7)F)C8=CC9=C(C=C8)C1=CC=CC=C1S9.
What is the InChIKey of N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is BWUCRHUYBFCXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30FN3S/c48-42-13-8-28-49-47(42)51-43-14-6-4-11-38(43)41-29-34(20-27-44(41)51)33-18-23-36(24-19-33)50(35-21-16-32(17-22-35)31-9-2-1-3-10-31)37-25-26-40-39-12-5-7-15-45(39)52-46(40)30-37/h1-30H.
What are the key properties of N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 687.80 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 90195053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).