CID 146184412

C56H34N2O — CID 146184412

IUPAC—
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)cc(-c2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C56H34N2O/c1-2-17-42-40(16-1)41-34-38(37-13-11-14-39(33-37)50-31-29-36-27-26-35-15-12-32-57-53(35)54(36)58-50)28-30-43(41)55(42)44-18-3-5-20-46(44)56(47-21-6-4-19-45(47)55)48-22-7-9-24-51(48)59-52-25-10-8-23-49(52)56/h1-34H
InChIKeyVISQPRWABRZHNJ-UHFFFAOYSA-N
MW750.90 g/mol
LogP13.28
Rot. Bonds2

About CID 146184412

CID 146184412 (PubChem CID 146184412) has the molecular formula C56H34N2O and a molecular weight of 750.90 g/mol.

Molecular Properties

Compound NameCID 146184412
PubChem CID146184412
Molecular FormulaC56H34N2O
Molecular Weight750.90 g/mol
Exact Mass750.27
IUPAC Name—
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)cc(-c2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C56H34N2O/c1-2-17-42-40(16-1)41-34-38(37-13-11-14-39(33-37)50-31-29-36-27-26-35-15-12-32-57-53(35)54(36)58-50)28-30-43(41)55(42)44-18-3-5-20-46(44)56(47-21-6-4-19-45(47)55)48-22-7-9-24-51(48)59-52-25-10-8-23-49(52)56/h1-34H
InChIKeyVISQPRWABRZHNJ-UHFFFAOYSA-N
XLogP13.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 CID 146184412?
The IUPAC name of CID 146184412 (CID 146184412) is not available.
What is the SMILES notation for CID 146184412?
The canonical SMILES for CID 146184412 is c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)cc(-c2ccc3ccc4cccnc4c3n2)c1.
What is the InChIKey of CID 146184412?
The InChIKey is VISQPRWABRZHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O/c1-2-17-42-40(16-1)41-34-38(37-13-11-14-39(33-37)50-31-29-36-27-26-35-15-12-32-57-53(35)54(36)58-50)28-30-43(41)55(42)44-18-3-5-20-46(44)56(47-21-6-4-19-45(47)55)48-22-7-9-24-51(48)59-52-25-10-8-23-49(52)56/h1-34H.
What are the key properties of CID 146184412?
CID 146184412 has a molecular weight of 750.90 g/mol, XLogP of 13.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184412 is sourced from PubChem (CID 146184412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).