5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole

C56H34FN3 — CID 58351507

IUPAC5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole
SMILESFc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cn2)cc1
InChIInChI=1S/C56H34FN3/c57-44-23-28-52-50(33-44)56-53(14-7-29-58-56)60(52)45-24-19-37(20-25-45)51-27-22-43(34-59-51)40-21-26-48-49(32-40)55(42-18-16-36-9-2-4-11-39(36)31-42)47-13-6-5-12-46(47)54(48)41-17-15-35-8-1-3-10-38(35)30-41/h1-34H
InChIKeyDTYCWJFOPJRWJR-UHFFFAOYSA-N
MW767.91 g/mol
LogP14.99
Rot. Bonds5

About 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole

5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole (PubChem CID 58351507) has the molecular formula C56H34FN3 and a molecular weight of 767.91 g/mol. Its IUPAC name is 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole
PubChem CID58351507
Molecular FormulaC56H34FN3
Molecular Weight767.91 g/mol
Exact Mass767.27
IUPAC Name5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole
SMILESFc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cn2)cc1
InChIInChI=1S/C56H34FN3/c57-44-23-28-52-50(33-44)56-53(14-7-29-58-56)60(52)45-24-19-37(20-25-45)51-27-22-43(34-59-51)40-21-26-48-49(32-40)55(42-18-16-36-9-2-4-11-39(36)31-42)47-13-6-5-12-46(47)54(48)41-17-15-35-8-1-3-10-38(35)30-41/h1-34H
InChIKeyDTYCWJFOPJRWJR-UHFFFAOYSA-N
XLogP14.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.91
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole?
The IUPAC name of 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole (CID 58351507) is 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole.
What is the SMILES notation for 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole?
The canonical SMILES for 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole is Fc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cn2)cc1.
What is the InChIKey of 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole?
The InChIKey is DTYCWJFOPJRWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34FN3/c57-44-23-28-52-50(33-44)56-53(14-7-29-58-56)60(52)45-24-19-37(20-25-45)51-27-22-43(34-59-51)40-21-26-48-49(32-40)55(42-18-16-36-9-2-4-11-39(36)31-42)47-13-6-5-12-46(47)54(48)41-17-15-35-8-1-3-10-38(35)30-41/h1-34H.
What are the key properties of 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole?
5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole has a molecular weight of 767.91 g/mol, XLogP of 14.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]phenyl]-8-fluoropyrido[3,2-b]indole is sourced from PubChem (CID 58351507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).