N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine

C52H33FN4S — CID 90195060

IUPACN-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine
SMILESFc1cncc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccn7)cc6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)ccc32)c1
InChIInChI=1S/C52H33FN4S/c53-39-30-43(33-54-32-39)57-49-10-3-1-7-44(49)47-29-38(20-27-50(47)57)36-18-23-41(24-19-36)56(42-25-26-46-45-8-2-4-11-51(45)58-52(46)31-42)40-21-16-35(17-22-40)34-12-14-37(15-13-34)48-9-5-6-28-55-48/h1-33H
InChIKeyMDPXZYDBAIBKCP-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.55
Rot. Bonds7

About N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine

N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 90195060) has the molecular formula C52H33FN4S and a molecular weight of 764.93 g/mol. Its IUPAC name is N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID90195060
Molecular FormulaC52H33FN4S
Molecular Weight764.93 g/mol
Exact Mass764.24
IUPAC NameN-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine
SMILESFc1cncc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccn7)cc6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)ccc32)c1
InChIInChI=1S/C52H33FN4S/c53-39-30-43(33-54-32-39)57-49-10-3-1-7-44(49)47-29-38(20-27-50(47)57)36-18-23-41(24-19-36)56(42-25-26-46-45-8-2-4-11-51(45)58-52(46)31-42)40-21-16-35(17-22-40)34-12-14-37(15-13-34)48-9-5-6-28-55-48/h1-33H
InChIKeyMDPXZYDBAIBKCP-UHFFFAOYSA-N
XLogP14.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine (CID 90195060) is N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine is Fc1cncc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccn7)cc6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)ccc32)c1.
What is the InChIKey of N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is MDPXZYDBAIBKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN4S/c53-39-30-43(33-54-32-39)57-49-10-3-1-7-44(49)47-29-38(20-27-50(47)57)36-18-23-41(24-19-36)56(42-25-26-46-45-8-2-4-11-51(45)58-52(46)31-42)40-21-16-35(17-22-40)34-12-14-37(15-13-34)48-9-5-6-28-55-48/h1-33H.
What are the key properties of N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine?
N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 764.93 g/mol, XLogP of 14.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 90195060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).