2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine

C53H36N2 — CID 20822120

IUPAC2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccccn4)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccn4)c4ccccc34)cc21
InChIInChI=1S/C53H36N2/c1-53(2)45-31-33(49-37-15-3-7-19-41(37)51(47-23-11-13-29-54-47)42-20-8-4-16-38(42)49)25-27-35(45)36-28-26-34(32-46(36)53)50-39-17-5-9-21-43(39)52(48-24-12-14-30-55-48)44-22-10-6-18-40(44)50/h3-32H,1-2H3
InChIKeyOZLVSFXSCUTJTJ-UHFFFAOYSA-N
MW700.89 g/mol
LogP14.06
Rot. Bonds4

About 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine

2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine (PubChem CID 20822120) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine
PubChem CID20822120
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccccn4)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccn4)c4ccccc34)cc21
InChIInChI=1S/C53H36N2/c1-53(2)45-31-33(49-37-15-3-7-19-41(37)51(47-23-11-13-29-54-47)42-20-8-4-16-38(42)49)25-27-35(45)36-28-26-34(32-46(36)53)50-39-17-5-9-21-43(39)52(48-24-12-14-30-55-48)44-22-10-6-18-40(44)50/h3-32H,1-2H3
InChIKeyOZLVSFXSCUTJTJ-UHFFFAOYSA-N
XLogP14.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine?
The IUPAC name of 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine (CID 20822120) is 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine.
What is the SMILES notation for 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine?
The canonical SMILES for 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine is CC1(C)c2cc(-c3c4ccccc4c(-c4ccccn4)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccn4)c4ccccc34)cc21.
What is the InChIKey of 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine?
The InChIKey is OZLVSFXSCUTJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-53(2)45-31-33(49-37-15-3-7-19-41(37)51(47-23-11-13-29-54-47)42-20-8-4-16-38(42)49)25-27-35(45)36-28-26-34(32-46(36)53)50-39-17-5-9-21-43(39)52(48-24-12-14-30-55-48)44-22-10-6-18-40(44)50/h3-32H,1-2H3.
What are the key properties of 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine?
2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine has a molecular weight of 700.89 g/mol, XLogP of 14.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[9,9-dimethyl-7-(10-pyridin-2-ylanthracen-9-yl)fluoren-2-yl]anthracen-9-yl]pyridine is sourced from PubChem (CID 20822120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).