N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine

C46H34FN3 — CID 123708309

IUPACN-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine
SMILESCC1(C)c2cc(C=Cc3ccc(N(c4ccccn4)c4ccccc4F)cc3)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C46H34FN3/c1-46(2)39-30-32(20-19-31-21-24-34(25-22-31)49(43-18-10-11-29-48-43)42-17-9-7-15-40(42)47)23-26-35(39)37-27-28-38-36-14-6-8-16-41(36)50(45(38)44(37)46)33-12-4-3-5-13-33/h3-30H,1-2H3
InChIKeyFOQYBIQJQIFSOP-UHFFFAOYSA-N
MW647.80 g/mol
LogP12.26
Rot. Bonds6

About N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine

N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine (PubChem CID 123708309) has the molecular formula C46H34FN3 and a molecular weight of 647.80 g/mol. Its IUPAC name is N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine
PubChem CID123708309
Molecular FormulaC46H34FN3
Molecular Weight647.80 g/mol
Exact Mass647.27
IUPAC NameN-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine
SMILESCC1(C)c2cc(C=Cc3ccc(N(c4ccccn4)c4ccccc4F)cc3)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C46H34FN3/c1-46(2)39-30-32(20-19-31-21-24-34(25-22-31)49(43-18-10-11-29-48-43)42-17-9-7-15-40(42)47)23-26-35(39)37-27-28-38-36-14-6-8-16-41(36)50(45(38)44(37)46)33-12-4-3-5-13-33/h3-30H,1-2H3
InChIKeyFOQYBIQJQIFSOP-UHFFFAOYSA-N
XLogP12.26
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.80
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine?
The IUPAC name of N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine (CID 123708309) is N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine?
The canonical SMILES for N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine is CC1(C)c2cc(C=Cc3ccc(N(c4ccccn4)c4ccccc4F)cc3)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine?
The InChIKey is FOQYBIQJQIFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34FN3/c1-46(2)39-30-32(20-19-31-21-24-34(25-22-31)49(43-18-10-11-29-48-43)42-17-9-7-15-40(42)47)23-26-35(39)37-27-28-38-36-14-6-8-16-41(36)50(45(38)44(37)46)33-12-4-3-5-13-33/h3-30H,1-2H3.
What are the key properties of N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine?
N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine has a molecular weight of 647.80 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 123708309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).