(1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine

C55H35FN6O — CID 163976107

IUPAC(1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine
SMILESN/C(=C\C=C/F)c1ccccc1-c1ccc2c(c1)c1ncccc1n2-c1cc(-n2c3ccc(-c4ccccc4-c4ccccn4)cc3c3ncccc32)c2oc3ccccc3c2c1
InChIInChI=1S/C55H35FN6O/c56-26-9-17-45(57)39-14-3-1-12-37(39)34-22-24-47-43(30-34)53-49(19-10-28-59-53)61(47)36-32-42-41-16-5-6-21-52(41)63-55(42)51(33-36)62-48-25-23-35(31-44(48)54-50(62)20-11-29-60-54)38-13-2-4-15-40(38)46-18-7-8-27-58-46/h1-33H,57H2/b26-9-,45-17-
InChIKeySUHGRAPUQSHSPT-JXTWYSMWSA-N
MW814.92 g/mol
LogP13.75
Rot. Bonds7

About (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine

(1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine (PubChem CID 163976107) has the molecular formula C55H35FN6O and a molecular weight of 814.92 g/mol. Its IUPAC name is (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine
PubChem CID163976107
Molecular FormulaC55H35FN6O
Molecular Weight814.92 g/mol
Exact Mass814.29
IUPAC Name(1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine
SMILESN/C(=C\C=C/F)c1ccccc1-c1ccc2c(c1)c1ncccc1n2-c1cc(-n2c3ccc(-c4ccccc4-c4ccccn4)cc3c3ncccc32)c2oc3ccccc3c2c1
InChIInChI=1S/C55H35FN6O/c56-26-9-17-45(57)39-14-3-1-12-37(39)34-22-24-47-43(30-34)53-49(19-10-28-59-53)61(47)36-32-42-41-16-5-6-21-52(41)63-55(42)51(33-36)62-48-25-23-35(31-44(48)54-50(62)20-11-29-60-54)38-13-2-4-15-40(38)46-18-7-8-27-58-46/h1-33H,57H2/b26-9-,45-17-
InChIKeySUHGRAPUQSHSPT-JXTWYSMWSA-N
XLogP13.75
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.92
LogP ≤ 513.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine (CID 163976107) is (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine is N/C(=C\C=C/F)c1ccccc1-c1ccc2c(c1)c1ncccc1n2-c1cc(-n2c3ccc(-c4ccccc4-c4ccccn4)cc3c3ncccc32)c2oc3ccccc3c2c1.
What is the InChIKey of (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine?
The InChIKey is SUHGRAPUQSHSPT-JXTWYSMWSA-N. The full InChI is InChI=1S/C55H35FN6O/c56-26-9-17-45(57)39-14-3-1-12-37(39)34-22-24-47-43(30-34)53-49(19-10-28-59-53)61(47)36-32-42-41-16-5-6-21-52(41)63-55(42)51(33-36)62-48-25-23-35(31-44(48)54-50(62)20-11-29-60-54)38-13-2-4-15-40(38)46-18-7-8-27-58-46/h1-33H,57H2/b26-9-,45-17-.
What are the key properties of (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine?
(1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine has a molecular weight of 814.92 g/mol, XLogP of 13.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-4-fluoro-1-[2-[5-[4-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indol-8-yl]phenyl]buta-1,3-dien-1-amine is sourced from PubChem (CID 163976107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).