3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole

C41H25FN4 — CID 58202932

IUPAC3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole
SMILESFc1cnc2c3ccccc3n(-c3ccc(-c4cc(-c5ccc6c(ccc7ccccc76)c5)nc(-c5ccccn5)c4)cc3)c2c1
InChIInChI=1S/C41H25FN4/c42-31-24-40-41(44-25-31)35-9-3-4-11-39(35)46(40)32-17-14-26(15-18-32)30-22-37(45-38(23-30)36-10-5-6-20-43-36)29-16-19-34-28(21-29)13-12-27-7-1-2-8-33(27)34/h1-25H
InChIKeyMMQVFSFVQWPWSG-UHFFFAOYSA-N
MW592.68 g/mol
LogP10.42
Rot. Bonds4

About 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole

3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole (PubChem CID 58202932) has the molecular formula C41H25FN4 and a molecular weight of 592.68 g/mol. Its IUPAC name is 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole
PubChem CID58202932
Molecular FormulaC41H25FN4
Molecular Weight592.68 g/mol
Exact Mass592.21
IUPAC Name3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole
SMILESFc1cnc2c3ccccc3n(-c3ccc(-c4cc(-c5ccc6c(ccc7ccccc76)c5)nc(-c5ccccn5)c4)cc3)c2c1
InChIInChI=1S/C41H25FN4/c42-31-24-40-41(44-25-31)35-9-3-4-11-39(35)46(40)32-17-14-26(15-18-32)30-22-37(45-38(23-30)36-10-5-6-20-43-36)29-16-19-34-28(21-29)13-12-27-7-1-2-8-33(27)34/h1-25H
InChIKeyMMQVFSFVQWPWSG-UHFFFAOYSA-N
XLogP10.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.68
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole (CID 58202932) is 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole is Fc1cnc2c3ccccc3n(-c3ccc(-c4cc(-c5ccc6c(ccc7ccccc76)c5)nc(-c5ccccn5)c4)cc3)c2c1.
What is the InChIKey of 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole?
The InChIKey is MMQVFSFVQWPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25FN4/c42-31-24-40-41(44-25-31)35-9-3-4-11-39(35)46(40)32-17-14-26(15-18-32)30-22-37(45-38(23-30)36-10-5-6-20-43-36)29-16-19-34-28(21-29)13-12-27-7-1-2-8-33(27)34/h1-25H.
What are the key properties of 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole?
3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole has a molecular weight of 592.68 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 58202932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).